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

Systemtic Name: methyl 2-(4-aminophenyl)-4-(4-bromanyl-3,5-dimethoxy-phenyl)-1-oxidanylidene-7-phenylmethoxy-isoquinoline-3-carboxylate hydrochloride Openeye Name: methyl 2-(4-aminophenyl)-7-benzyloxy-4-(4-bromo-3,5-dimethoxy-phenyl)-1-oxo-isoquinoline-3-carboxylate hydrochloride CAS Name: 2-(4-aminophenyl)-4-(4-bromo-3,5-dimethoxyphenyl)-1-oxo-7-phenylmethoxy-3-isoquinolinecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 2-(4-aminophenyl)-4-(4-bromo-3,5-dimethoxyphenyl)-1-oxo-7-phenylmethoxyisoquinoline-3-carboxylate hydrochloride Traditional Name: 2-(4-aminophenyl)-7-benzoxy-4-(4-bromo-3,5-dimethoxy-phenyl)-1-keto-isoquinoline-3-carboxylic acid methyl ester hydrochloride Formula: C32H28BrClN2O6 MolecularWeight: 651.93152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C2=C(N(C(=O)C3=C2C=CC(=C3)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=C2C=CC(=C3)OCC4=CC=CC=C4)C5=CC=C(C=C5)N)C(=O)OC.Cl

InChI

InChI=1S/C32H27BrN2O6.ClH/c1-38-26-15-20(16-27(39-2)29(26)33)28-24-14-13-23(41-18-19-7-5-4-6-8-19)17-25(24)31(36)35(30(28)32(37)40-3)22-11-9-21(34)10-12-22;/h4-17H,18,34H2,1-3H3;1H