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

Systemtic Name: methyl 2-(4-aminophenyl)-4-(4-bromanyl-3,5-dimethoxy-phenyl)-6-methoxy-7-oxidanyl-1-oxidanylidene-isoquinoline-3-carboxylate hydrochloride Openeye Name: methyl 2-(4-aminophenyl)-4-(4-bromo-3,5-dimethoxy-phenyl)-7-hydroxy-6-methoxy-1-oxo-isoquinoline-3-carboxylate hydrochloride CAS Name: 2-(4-aminophenyl)-4-(4-bromo-3,5-dimethoxyphenyl)-7-hydroxy-6-methoxy-1-oxo-3-isoquinolinecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 2-(4-aminophenyl)-4-(4-bromo-3,5-dimethoxyphenyl)-7-hydroxy-6-methoxy-1-oxoisoquinoline-3-carboxylate hydrochloride Traditional Name: 2-(4-aminophenyl)-4-(4-bromo-3,5-dimethoxy-phenyl)-7-hydroxy-1-keto-6-methoxy-isoquinoline-3-carboxylic acid methyl ester hydrochloride Formula: C26H24BrClN2O7 MolecularWeight: 591.83496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)O)C4=CC=C(C=C4)N)C(=O)OC.Cl

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)O)C4=CC=C(C=C4)N)C(=O)OC.Cl

InChI

InChI=1S/C26H23BrN2O7.ClH/c1-33-19-12-16-17(11-18(19)30)25(31)29(15-7-5-14(28)6-8-15)24(26(32)36-4)22(16)13-9-20(34-2)23(27)21(10-13)35-3;/h5-12,30H,28H2,1-4H3;1H