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

Systemtic Name: methyl 4-(3-bromanyl-4,5-dimethoxy-phenyl)-6,7-dimethoxy-1-oxidanylidene-2-phenyl-isoquinoline-3-carboxylate Openeye Name: methyl 4-(3-bromo-4,5-dimethoxy-phenyl)-6,7-dimethoxy-1-oxo-2-phenyl-isoquinoline-3-carboxylate CAS Name: 4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-2-phenyl-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-2-phenylisoquinoline-3-carboxylate Traditional Name: 4-(3-bromo-4,5-dimethoxy-phenyl)-1-keto-6,7-dimethoxy-2-phenyl-isoquinoline-3-carboxylic acid methyl ester Formula: C27H24BrNO7 MolecularWeight: 554.38596

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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)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)C(=O)OC)Br)OC

InChI

InChI=1S/C27H24BrNO7/c1-32-20-13-17-18(14-21(20)33-2)26(30)29(16-9-7-6-8-10-16)24(27(31)36-5)23(17)15-11-19(28)25(35-4)22(12-15)34-3/h6-14H,1-5H3