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

Systemtic Name: methyl 4-(3-bromanyl-4,5-dimethoxy-phenyl)-6,7-dimethoxy-1-oxidanylidene-2-quinolin-3-yl-isoquinoline-3-carboxylate Openeye Name: methyl 4-(3-bromo-4,5-dimethoxy-phenyl)-6,7-dimethoxy-1-oxo-2-(3-quinolyl)isoquinoline-3-carboxylate CAS Name: 4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-2-(3-quinolinyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-2-quinolin-3-ylisoquinoline-3-carboxylate Traditional Name: 4-(3-bromo-4,5-dimethoxy-phenyl)-1-keto-6,7-dimethoxy-2-(3-quinolyl)isoquinoline-3-carboxylic acid methyl ester Formula: C30H25BrN2O7 MolecularWeight: 605.4327

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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=CC5=CC=CC=C5N=C4)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=CC5=CC=CC=C5N=C4)C(=O)OC)Br)OC

InChI

InChI=1S/C30H25BrN2O7/c1-36-23-13-19-20(14-24(23)37-2)29(34)33(18-10-16-8-6-7-9-22(16)32-15-18)27(30(35)40-5)26(19)17-11-21(31)28(39-4)25(12-17)38-3/h6-15H,1-5H3