661 Mrv1652305271900322D 33 34 0 0 1 0 999 V2000 2.3645 -2.0478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 -2.8728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9812 1.1418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8062 2.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2686 1.8563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 0.4273 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 0.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 1.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6185 0.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0310 1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 -0.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8561 1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0791 1.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 1.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9685 0.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0791 -0.8103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 -0.8103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0936 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0791 -1.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8561 2.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 -1.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5061 2.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 -2.0478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3311 2.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7436 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7436 3.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5686 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5686 3.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9812 2.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 -3.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8062 1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2187 3.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 28 1 0 0 0 0 2 23 1 0 0 0 0 2 31 1 0 0 0 0 3 27 1 0 0 0 0 3 32 1 0 0 0 0 4 30 1 0 0 0 0 4 33 1 0 0 0 0 5 12 1 0 0 0 0 5 18 1 0 0 0 0 5 20 1 0 0 0 0 6 15 3 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 15 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 10 12 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 16 19 1 0 0 0 0 17 21 2 0 0 0 0 18 22 1 0 0 0 0 19 23 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 26 29 2 0 0 0 0 27 30 2 0 0 0 0 29 30 1 0 0 0 0 M END > FDB022708 > foodb > COC1=C(OC)C=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1 > InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 > SGTNSNPWRIOYBX-UHFFFAOYSA-N > C27H38N2O4 > 454.6016 > 454.283157714 > 6 > 71 > 51.69513416927456 > 0 > 0 > 0 > 0 > 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile > 5.23 > 5.043185821000002 > -5.06 > 0 > 2 > 1 > 9.67844357225492 > 63.95 > 132.6479 > 13 > 0 > 3.94e-03 g/l > veraβ > 0 > FDB022708 > Verapamil $$$$