methyl 2-(4-acetamidophenyl)-4-(3-bromanyl-4,5-dimethoxy-phenyl)-6,7-dimethoxy-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: methyl 2-(4-acetamidophenyl)-4-(3-bromanyl-4,5-dimethoxy-phenyl)-6,7-dimethoxy-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: methyl 2-(4-acetamidophenyl)-4-(3-bromo-4,5-dimethoxy-phenyl)-6,7-dimethoxy-1-oxo-isoquinoline-3-carboxylate CAS Name: 2-(4-acetamidophenyl)-4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-acetamidophenyl)-4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxoisoquinoline-3-carboxylate Traditional Name: 2-(4-acetamidophenyl)-4-(3-bromo-4,5-dimethoxy-phenyl)-1-keto-6,7-dimethoxy-isoquinoline-3-carboxylic acid methyl ester Formula: C29H27BrN2O8 MolecularWeight: 611.43728

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)N2C(=C(C3=CC(=C(C=C3C2=O)OC)OC)C4=CC(=C(C(=C4)Br)OC)OC)C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)N2C(=C(C3=CC(=C(C=C3C2=O)OC)OC)C4=CC(=C(C(=C4)Br)OC)OC)C(=O)OC

InChI

InChI=1S/C29H27BrN2O8/c1-15(33)31-17-7-9-18(10-8-17)32-26(29(35)40-6)25(16-11-21(30)27(39-5)24(12-16)38-4)19-13-22(36-2)23(37-3)14-20(19)28(32)34/h7-14H,1-6H3,(H,31,33)