Mrv0541 09211104252D 58 60 0 0 0 0 999 V2000 0.0000 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2393 -2.6102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7913 -1.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5364 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0884 -0.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8954 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5628 -0.2860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2303 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0372 -0.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5893 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3962 -1.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6512 -0.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4581 -0.0848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0991 0.3568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3541 1.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8021 1.7545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0570 2.5391 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5050 3.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7599 3.9368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5669 4.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1189 3.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8640 2.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3343 -1.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5274 -2.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9753 -1.5555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6398 -2.3092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1503 -1.5555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5983 -2.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6262 -2.0582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6873 -3.2233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8524 -3.1622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7294 -1.0410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8334 0.1852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4018 0.0361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8939 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6306 -0.0263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9482 -1.6540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1471 0.9140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9861 1.6717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1701 1.2242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0091 1.9819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8730 2.6219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7120 3.3796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9846 4.2189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5603 4.7373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4236 4.9209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1603 4.6815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7509 4.0256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9119 3.2679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6393 2.4286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3012 2.0111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8863 -2.6102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2725 -2.9532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8328 -2.4808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3043 -3.0629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8114 -3.1162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5983 -2.9936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 4 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 17 22 1 0 0 0 0 10 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 8 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 6 27 1 0 0 0 0 27 28 2 0 0 0 0 3 28 1 0 0 0 0 1 29 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 4 33 1 0 0 0 0 5 34 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 11 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 53 1 0 0 0 0 24 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 28 58 1 0 0 0 0 M END > t3db > T3D2394 > Cl.CC1=CC=C2OC3CC(=CC(=O)OCCN4CCCCC4)C=CC3(C)C2=C1 > InChI=1S/C23H29NO3.ClH/c1-17-6-7-20-19(14-17)23(2)9-8-18(15-21(23)27-20)16-22(25)26-13-12-24-10-4-3-5-11-24;/h6-9,14,16,21H,3-5,10-13,15H2,1-2H3;1H/b18-16-; > InChIKey=WGFNYPXAYCRCDT-FTUZMNKQSA-N > 3 > 42.703791839013014 > 0 > 403.191421538 > 0 > C23H30ClNO3 > 2-(piperidin-1-yl)ethyl 2-{2,12-dimethyl-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),3,9,11-tetraen-5-ylidene}acetate hydrochloride > 4.283626352333334 > 403.942 > 38.77 > 109.1718 > 5 > 2-(piperidin-1-yl)ethyl 2-{2,12-dimethyl-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),3,9,11-tetraen-5-ylidene}acetate hydrochloride $$$$