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

Systemtic Name: methyl 2-(4-aminophenyl)-4-(4-bromanyl-3,5-dimethoxy-phenyl)-7-oxidanyl-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: methyl 2-(4-aminophenyl)-4-(4-bromo-3,5-dimethoxy-phenyl)-7-hydroxy-1-oxo-isoquinoline-3-carboxylate CAS Name: 2-(4-aminophenyl)-4-(4-bromo-3,5-dimethoxyphenyl)-7-hydroxy-1-oxo-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-aminophenyl)-4-(4-bromo-3,5-dimethoxyphenyl)-7-hydroxy-1-oxoisoquinoline-3-carboxylate Traditional Name: 2-(4-aminophenyl)-4-(4-bromo-3,5-dimethoxy-phenyl)-7-hydroxy-1-keto-isoquinoline-3-carboxylic acid methyl ester Formula: C25H21BrN2O6 MolecularWeight: 525.34804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C2=C(N(C(=O)C3=C2C=CC(=C3)O)C4=CC=C(C=C4)N)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C2=C(N(C(=O)C3=C2C=CC(=C3)O)C4=CC=C(C=C4)N)C(=O)OC

InChI

InChI=1S/C25H21BrN2O6/c1-32-19-10-13(11-20(33-2)22(19)26)21-17-9-8-16(29)12-18(17)24(30)28(23(21)25(31)34-3)15-6-4-14(27)5-7-15/h4-12,29H,27H2,1-3H3