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

Systemtic Name: methyl 2-(4-aminophenyl)-7-oxidanyl-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate hydrochloride Openeye Name: methyl 2-(4-aminophenyl)-7-hydroxy-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate hydrochloride CAS Name: 2-(4-aminophenyl)-7-hydroxy-1-oxo-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 2-(4-aminophenyl)-7-hydroxy-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate hydrochloride Traditional Name: 2-(4-aminophenyl)-7-hydroxy-1-keto-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester hydrochloride Formula: C26H25ClN2O7 MolecularWeight: 512.9389

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=C2C=CC(=C3)O)C4=CC=C(C=C4)N)C(=O)OC.Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=C2C=CC(=C3)O)C4=CC=C(C=C4)N)C(=O)OC.Cl

InChI

InChI=1S/C26H24N2O7.ClH/c1-32-20-11-14(12-21(33-2)24(20)34-3)22-18-10-9-17(29)13-19(18)25(30)28(23(22)26(31)35-4)16-7-5-15(27)6-8-16;/h5-13,29H,27H2,1-4H3;1H