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

Systemtic Name: methyl 4-(3-bromanyl-4,5-dimethoxy-phenyl)-2-(3-formamidophenyl)-6,7-dimethoxy-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: methyl 4-(3-bromo-4,5-dimethoxy-phenyl)-2-(3-formamidophenyl)-6,7-dimethoxy-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-(3-bromo-4,5-dimethoxyphenyl)-2-(3-formamidophenyl)-6,7-dimethoxy-1-oxo-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-bromo-4,5-dimethoxyphenyl)-2-(3-formamidophenyl)-6,7-dimethoxy-1-oxoisoquinoline-3-carboxylate Traditional Name: 4-(3-bromo-4,5-dimethoxy-phenyl)-2-(3-formamidophenyl)-1-keto-6,7-dimethoxy-isoquinoline-3-carboxylic acid methyl ester Formula: C28H25BrN2O8 MolecularWeight: 597.4107

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OC)C4=CC(=CC=C4)NC=O)C(=O)OC)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OC)C4=CC(=CC=C4)NC=O)C(=O)OC)Br)OC

InChI

InChI=1S/C28H25BrN2O8/c1-35-21-12-18-19(13-22(21)36-2)27(33)31(17-8-6-7-16(11-17)30-14-32)25(28(34)39-5)24(18)15-9-20(29)26(38-4)23(10-15)37-3/h6-14H,1-5H3,(H,30,32)