methyl 2-(4-aminophenyl)-4-(3,5-dimethoxy-4-methyl-phenyl)-6-methoxy-7-oxidanyl-1-oxidanylidene-isoquinoline-3-carboxylate hydrochloride

Systemtic Name: methyl 2-(4-aminophenyl)-4-(3,5-dimethoxy-4-methyl-phenyl)-6-methoxy-7-oxidanyl-1-oxidanylidene-isoquinoline-3-carboxylate hydrochloride Openeye Name: methyl 2-(4-aminophenyl)-4-(3,5-dimethoxy-4-methyl-phenyl)-7-hydroxy-6-methoxy-1-oxo-isoquinoline-3-carboxylate hydrochloride CAS Name: 2-(4-aminophenyl)-4-(3,5-dimethoxy-4-methylphenyl)-7-hydroxy-6-methoxy-1-oxo-3-isoquinolinecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 2-(4-aminophenyl)-4-(3,5-dimethoxy-4-methylphenyl)-7-hydroxy-6-methoxy-1-oxoisoquinoline-3-carboxylate hydrochloride Traditional Name: 2-(4-aminophenyl)-4-(3,5-dimethoxy-4-methyl-phenyl)-7-hydroxy-1-keto-6-methoxy-isoquinoline-3-carboxylic acid methyl ester hydrochloride Formula: C27H27ClN2O7 MolecularWeight: 526.96548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1OC)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)O)C4=CC=C(C=C4)N)C(=O)OC)OC.Cl

Isomeric SMILES

CC1=C(C=C(C=C1OC)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)O)C4=CC=C(C=C4)N)C(=O)OC)OC.Cl

InChI

InChI=1S/C27H26N2O7.ClH/c1-14-21(33-2)10-15(11-22(14)34-3)24-18-13-23(35-4)20(30)12-19(18)26(31)29(25(24)27(32)36-5)17-8-6-16(28)7-9-17;/h6-13,30H,28H2,1-5H3;1H