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

Systemtic Name: 4-(3-bromanyl-4,5-dimethoxy-phenyl)-6,7-dimethoxy-1-oxidanylidene-2-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 4-(3-bromo-4,5-dimethoxy-phenyl)-6,7-dimethoxy-1-oxo-2-phenyl-isoquinoline-3-carboxylic acid CAS Name: 4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-2-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-2-phenylisoquinoline-3-carboxylic acid Traditional Name: 4-(3-bromo-4,5-dimethoxy-phenyl)-1-keto-6,7-dimethoxy-2-phenyl-isoquinoline-3-carboxylic acid Formula: C26H22BrNO7 MolecularWeight: 540.35938

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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)O)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)O)Br)OC

InChI

InChI=1S/C26H22BrNO7/c1-32-19-12-16-17(13-20(19)33-2)25(29)28(15-8-6-5-7-9-15)23(26(30)31)22(16)14-10-18(27)24(35-4)21(11-14)34-3/h5-13H,1-4H3,(H,30,31)