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

Systemtic Name: methyl 4-(3-bromanyl-4,5-dimethoxy-phenyl)-6,7-dimethoxy-2-(2-methoxy-2-oxidanylidene-ethyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: methyl 4-(3-bromo-4,5-dimethoxy-phenyl)-6,7-dimethoxy-2-(2-methoxy-2-oxo-ethyl)-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-2-(2-methoxy-2-oxoethyl)-1-oxo-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-2-(2-methoxy-2-oxoethyl)-1-oxoisoquinoline-3-carboxylate Traditional Name: 4-(3-bromo-4,5-dimethoxy-phenyl)-1-keto-2-(2-keto-2-methoxy-ethyl)-6,7-dimethoxy-isoquinoline-3-carboxylic acid methyl ester Formula: C24H24BrNO9 MolecularWeight: 550.35266

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

Isomeric SMILES

COC1=C(C(=CC(=C1)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OC)CC(=O)OC)C(=O)OC)Br)OC

InChI

InChI=1S/C24H24BrNO9/c1-30-16-9-13-14(10-17(16)31-2)23(28)26(11-19(27)33-4)21(24(29)35-6)20(13)12-7-15(25)22(34-5)18(8-12)32-3/h7-10H,11H2,1-6H3