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

Systemtic Name: methyl 2-(4-aminophenyl)-7-(1H-benzimidazol-2-ylmethoxy)-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: methyl 2-(4-aminophenyl)-7-(1H-benzimidazol-2-ylmethoxy)-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 2-(4-aminophenyl)-7-(1H-benzimidazol-2-ylmethoxy)-1-oxo-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-aminophenyl)-7-(1H-benzimidazol-2-ylmethoxy)-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 2-(4-aminophenyl)-7-(1H-benzimidazol-2-ylmethoxy)-1-keto-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C34H30N4O7 MolecularWeight: 606.6246

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=C2C=CC(=C3)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=C2C=CC(=C3)OCC4=NC5=CC=CC=C5N4)C6=CC=C(C=C6)N)C(=O)OC

InChI

InChI=1S/C34H30N4O7/c1-41-27-15-19(16-28(42-2)32(27)43-3)30-23-14-13-22(45-18-29-36-25-7-5-6-8-26(25)37-29)17-24(23)33(39)38(31(30)34(40)44-4)21-11-9-20(35)10-12-21/h5-17H,18,35H2,1-4H3,(H,36,37)