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

Systemtic Name: methyl 4-(3-bromanyl-4,5-dimethoxy-phenyl)-6,7-dimethoxy-1-oxidanylidene-2-quinolin-6-yl-isoquinoline-3-carboxylate Openeye Name: methyl 4-(3-bromo-4,5-dimethoxy-phenyl)-6,7-dimethoxy-1-oxo-2-(6-quinolyl)isoquinoline-3-carboxylate CAS Name: 4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-2-(6-quinolinyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-2-quinolin-6-ylisoquinoline-3-carboxylate Traditional Name: 4-(3-bromo-4,5-dimethoxy-phenyl)-1-keto-6,7-dimethoxy-2-(6-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=C(C=C4)N=CC=C5)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=C(C=C4)N=CC=C5)C(=O)OC)Br)OC

InChI

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