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

Systemtic Name: methyl 2-(4-aminophenyl)-4-(4-bromanyl-3,5-dimethoxy-phenyl)-6-methoxy-1-oxidanylidene-7-phenylmethoxy-isoquinoline-3-carboxylate hydrochloride Openeye Name: methyl 2-(4-aminophenyl)-7-benzyloxy-4-(4-bromo-3,5-dimethoxy-phenyl)-6-methoxy-1-oxo-isoquinoline-3-carboxylate hydrochloride CAS Name: 2-(4-aminophenyl)-4-(4-bromo-3,5-dimethoxyphenyl)-6-methoxy-1-oxo-7-phenylmethoxy-3-isoquinolinecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 2-(4-aminophenyl)-4-(4-bromo-3,5-dimethoxyphenyl)-6-methoxy-1-oxo-7-phenylmethoxyisoquinoline-3-carboxylate hydrochloride Traditional Name: 2-(4-aminophenyl)-7-benzoxy-4-(4-bromo-3,5-dimethoxy-phenyl)-1-keto-6-methoxy-isoquinoline-3-carboxylic acid methyl ester hydrochloride Formula: C33H30BrClN2O7 MolecularWeight: 681.9575

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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)OCC4=CC=CC=C4)C5=CC=C(C=C5)N)C(=O)OC.Cl

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OCC4=CC=CC=C4)C5=CC=C(C=C5)N)C(=O)OC.Cl

InChI

InChI=1S/C33H29BrN2O7.ClH/c1-39-25-16-23-24(17-26(25)43-18-19-8-6-5-7-9-19)32(37)36(22-12-10-21(35)11-13-22)31(33(38)42-4)29(23)20-14-27(40-2)30(34)28(15-20)41-3;/h5-17H,18,35H2,1-4H3;1H