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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OC)C4=CC=C(C=C4)N)C(=O)OC)OC.Cl

Isomeric SMILES

COC1=CC(=CC(=C1)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OC)C4=CC=C(C=C4)N)C(=O)OC)OC.Cl

InChI

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