ethyl 3-[4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-6,7-dimethoxy-2-methyl-1,4-dihydroisoquinoline-3-carboxylate

Systemtic Name: ethyl 3-[4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-6,7-dimethoxy-2-methyl-1,4-dihydroisoquinoline-3-carboxylate Openeye Name: ethyl 3-[4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-6,7-dimethoxy-2-methyl-1,4-dihydroisoquinoline-3-carboxylate CAS Name: 3-[4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-6,7-dimethoxy-2-methyl-1,4-dihydroisoquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-6,7-dimethoxy-2-methyl-1,4-dihydroisoquinoline-3-carboxylate Traditional Name: 3-[4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-6,7-dimethoxy-2-methyl-1,4-dihydroisoquinoline-3-carboxylic acid ethyl ester Formula: C31H42N2O6 MolecularWeight: 538.67498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC2=CC(=C(C=C2CN1C)OC)OC)CCCC(C#N)(C3=CC(=C(C=C3)OC)OC)C(C)C

Isomeric SMILES

CCOC(=O)C1(CC2=CC(=C(C=C2CN1C)OC)OC)CCCC(C#N)(C3=CC(=C(C=C3)OC)OC)C(C)C

InChI

InChI=1S/C31H42N2O6/c1-9-39-29(34)31(18-22-15-26(36-6)27(37-7)16-23(22)19-33(31)4)14-10-13-30(20-32,21(2)3)24-11-12-25(35-5)28(17-24)38-8/h11-12,15-17,21H,9-10,13-14,18-19H2,1-8H3