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

Systemtic Name: methyl 2-(4-aminophenyl)-4-(3,5-dimethoxy-4-methyl-phenyl)-7-oxidanyl-1-oxidanylidene-isoquinoline-3-carboxylate hydrochloride Openeye Name: methyl 2-(4-aminophenyl)-4-(3,5-dimethoxy-4-methyl-phenyl)-7-hydroxy-1-oxo-isoquinoline-3-carboxylate hydrochloride CAS Name: 2-(4-aminophenyl)-4-(3,5-dimethoxy-4-methylphenyl)-7-hydroxy-1-oxo-3-isoquinolinecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 2-(4-aminophenyl)-4-(3,5-dimethoxy-4-methylphenyl)-7-hydroxy-1-oxoisoquinoline-3-carboxylate hydrochloride Traditional Name: 2-(4-aminophenyl)-4-(3,5-dimethoxy-4-methyl-phenyl)-7-hydroxy-1-keto-isoquinoline-3-carboxylic acid methyl ester hydrochloride Formula: C26H25ClN2O6 MolecularWeight: 496.9395

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1OC)C2=C(N(C(=O)C3=C2C=CC(=C3)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=C2C=CC(=C3)O)C4=CC=C(C=C4)N)C(=O)OC)OC.Cl

InChI

InChI=1S/C26H24N2O6.ClH/c1-14-21(32-2)11-15(12-22(14)33-3)23-19-10-9-18(29)13-20(19)25(30)28(24(23)26(31)34-4)17-7-5-16(27)6-8-17;/h5-13,29H,27H2,1-4H3;1H