Mrv0541 09211104372D 57 58 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 0.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9538 0.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6682 0.5682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6682 -0.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9538 -0.6693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3827 0.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0972 0.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8116 0.9807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5261 0.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5261 -0.2568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2406 0.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9551 0.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6695 0.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3840 0.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1686 0.8232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6535 0.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4740 0.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8096 -0.6842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3247 -1.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6602 -2.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5042 -1.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1686 -0.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3840 -0.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4702 -1.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6695 -0.6693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9551 -0.2568 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 1.4140 0.9620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4038 0.1954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0095 1.4420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8965 1.8666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 0.1616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1916 0.3578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6358 -1.2651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9063 -0.7778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2001 -1.1516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8767 -1.5913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1323 1.8716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8988 1.7076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4476 -0.3692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8802 -0.1824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0134 1.8201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1537 1.6921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9224 1.8358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6761 1.4141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1117 0.6828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6628 -0.5283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3391 -2.9162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2562 -2.7567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5021 -1.8748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9390 -0.4606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7732 -1.6455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3705 -2.0011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0059 -1.7974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2096 -1.4182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3969 -0.9267 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 4 5 1 0 0 0 0 5 6 1 0 0 0 0 4 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 12 10 1 4 0 0 0 12 13 2 0 0 0 0 13 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 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 17 23 1 0 0 0 0 23 24 1 0 0 0 0 15 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 13 27 1 0 0 0 0 1 28 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 12 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 46 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 56 1 0 0 0 0 27 57 1 0 0 0 0 M END > t3db > T3D2396 > Cl.CCN(CC)CCOC(=O)C=C1CC2OC3=CC=C(C)C=C3C2(C)C=C1 > InChI=1S/C22H29NO3.ClH/c1-5-23(6-2)11-12-25-21(24)15-17-9-10-22(4)18-13-16(3)7-8-19(18)26-20(22)14-17;/h7-10,13,15,20H,5-6,11-12,14H2,1-4H3;1H/b17-15+; > InChIKey=KLNGPDCKYGBIJW-INTLEYBYSA-N > 3 > 42.15341305616473 > 0 > 391.191421538 > 0 > C22H30ClNO3 > 2-(diethylamino)ethyl 2-{2,12-dimethyl-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),3,9,11-tetraen-5-ylidene}acetate hydrochloride > 4.146876130000001 > 391.932 > 38.769999999999996 > 106.527 > 7 > 2-(diethylamino)ethyl 2-{2,12-dimethyl-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),3,9,11-tetraen-5-ylidene}acetate hydrochloride $$$$