Mrv0541 09211104372D 51 52 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 0.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9538 0.5640 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9538 -0.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6682 0.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3827 0.5640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0972 0.9765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8116 0.5640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8116 -0.2610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5261 0.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2406 0.5640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9551 0.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6695 0.5640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4541 0.8189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9391 0.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7595 0.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0951 -0.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6102 -1.3558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9457 -2.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7897 -1.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4541 -0.5159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6695 -0.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7558 -1.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9551 -0.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2406 -0.2610 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 2.2039 1.8711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4476 1.4103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6321 0.3907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3738 -0.9664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3159 -1.0545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0073 -0.1968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0047 1.2485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7864 1.8580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1840 0.3951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3824 -0.3103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3680 1.8459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4547 1.6992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2225 1.8322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9705 1.4111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3056 0.7402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9396 -0.4818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4125 -2.8287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2829 -2.9443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8370 -2.2476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3428 -1.8925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8380 -1.2103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8679 -1.9779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4068 -0.9557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9924 -1.7006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6407 -0.8669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 10 8 1 4 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 13 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 11 25 1 0 0 0 0 1 26 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 10 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 M END > t3db > T3D2397 > Cl.CN(C)CCOC(=O)C=C1CC2OC3=CC=C(C)C=C3C2(C)C=C1 > InChI=1S/C20H25NO3.ClH/c1-14-5-6-17-16(11-14)20(2)8-7-15(12-18(20)24-17)13-19(22)23-10-9-21(3)4;/h5-8,11,13,18H,9-10,12H2,1-4H3;1H/b15-13+; > InChIKey=WBHXYOILIHMBGR-GVYCEHEKSA-N > 3 > 37.77907593793218 > 0 > 363.16012141 > 0 > C20H26ClNO3 > 2-(dimethylamino)ethyl 2-{2,12-dimethyl-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),3,9,11-tetraen-5-ylidene}acetate hydrochloride > 3.4332602206666674 > 363.878 > 38.769999999999996 > 97.02980000000001 > 5 > 2-(dimethylamino)ethyl 2-{2,12-dimethyl-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),3,9,11-tetraen-5-ylidene}acetate hydrochloride $$$$