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

Systemtic Name: methyl 2-(4-aminocarbonylphenyl)-4-(3-bromanyl-4,5-dimethoxy-phenyl)-6,7-dimethoxy-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: methyl 4-(3-bromo-4,5-dimethoxy-phenyl)-2-(4-carbamoylphenyl)-6,7-dimethoxy-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-(3-bromo-4,5-dimethoxyphenyl)-2-(4-carbamoylphenyl)-6,7-dimethoxy-1-oxo-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-bromo-4,5-dimethoxyphenyl)-2-(4-carbamoylphenyl)-6,7-dimethoxy-1-oxoisoquinoline-3-carboxylate Traditional Name: 4-(3-bromo-4,5-dimethoxy-phenyl)-2-(4-carbamoylphenyl)-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=C(C=C4)C(=O)N)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=C(C=C4)C(=O)N)C(=O)OC)Br)OC

InChI

InChI=1S/C28H25BrN2O8/c1-35-20-12-17-18(13-21(20)36-2)27(33)31(16-8-6-14(7-9-16)26(30)32)24(28(34)39-5)23(17)15-10-19(29)25(38-4)22(11-15)37-3/h6-13H,1-5H3,(H2,30,32)