methyl 2-(4-aminophenyl)-4-(3,4-dimethoxy-5-oxidanyl-phenyl)-1-oxidanylidene-7-(pyridin-2-ylmethoxy)isoquinoline-3-carboxylate

Systemtic Name: methyl 2-(4-aminophenyl)-4-(3,4-dimethoxy-5-oxidanyl-phenyl)-1-oxidanylidene-7-(pyridin-2-ylmethoxy)isoquinoline-3-carboxylate Openeye Name: methyl 2-(4-aminophenyl)-4-(3-hydroxy-4,5-dimethoxy-phenyl)-1-oxo-7-(2-pyridylmethoxy)isoquinoline-3-carboxylate CAS Name: 2-(4-aminophenyl)-4-(3-hydroxy-4,5-dimethoxyphenyl)-1-oxo-7-(2-pyridinylmethoxy)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-aminophenyl)-4-(3-hydroxy-4,5-dimethoxyphenyl)-1-oxo-7-(pyridin-2-ylmethoxy)isoquinoline-3-carboxylate Traditional Name: 2-(4-aminophenyl)-4-(3-hydroxy-4,5-dimethoxy-phenyl)-1-keto-7-(2-pyridylmethoxy)isoquinoline-3-carboxylic acid methyl ester Formula: C31H27N3O7 MolecularWeight: 553.56198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)O)C2=C(N(C(=O)C3=C2C=CC(=C3)OCC4=CC=CC=N4)C5=CC=C(C=C5)N)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)O)C2=C(N(C(=O)C3=C2C=CC(=C3)OCC4=CC=CC=N4)C5=CC=C(C=C5)N)C(=O)OC

InChI

InChI=1S/C31H27N3O7/c1-38-26-15-18(14-25(35)29(26)39-2)27-23-12-11-22(41-17-20-6-4-5-13-33-20)16-24(23)30(36)34(28(27)31(37)40-3)21-9-7-19(32)8-10-21/h4-16,35H,17,32H2,1-3H3