methyl 2-(4-aminophenyl)-7-(1H-benzimidazol-2-ylmethoxy)-6-methoxy-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate

Systemtic Name: methyl 2-(4-aminophenyl)-7-(1H-benzimidazol-2-ylmethoxy)-6-methoxy-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: methyl 2-(4-aminophenyl)-7-(1H-benzimidazol-2-ylmethoxy)-6-methoxy-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 2-(4-aminophenyl)-7-(1H-benzimidazol-2-ylmethoxy)-6-methoxy-1-oxo-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-aminophenyl)-7-(1H-benzimidazol-2-ylmethoxy)-6-methoxy-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 2-(4-aminophenyl)-7-(1H-benzimidazol-2-ylmethoxy)-1-keto-6-methoxy-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C35H32N4O8 MolecularWeight: 636.65058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OCC4=NC5=CC=CC=C5N4)C6=CC=C(C=C6)N)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OCC4=NC5=CC=CC=C5N4)C6=CC=C(C=C6)N)C(=O)OC

InChI

InChI=1S/C35H32N4O8/c1-42-26-16-22-23(17-27(26)47-18-30-37-24-8-6-7-9-25(24)38-30)34(40)39(21-12-10-20(36)11-13-21)32(35(41)46-5)31(22)19-14-28(43-2)33(45-4)29(15-19)44-3/h6-17H,18,36H2,1-5H3,(H,37,38)