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

Systemtic Name: methyl 4-(3-bromanyl-4,5-dimethoxy-phenyl)-6,7-dimethoxy-1-oxidanylidene-2-(3-oxidanylpropyl)isoquinoline-3-carboxylate Openeye Name: methyl 4-(3-bromo-4,5-dimethoxy-phenyl)-2-(3-hydroxypropyl)-6,7-dimethoxy-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-(3-bromo-4,5-dimethoxyphenyl)-2-(3-hydroxypropyl)-6,7-dimethoxy-1-oxo-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-bromo-4,5-dimethoxyphenyl)-2-(3-hydroxypropyl)-6,7-dimethoxy-1-oxoisoquinoline-3-carboxylate Traditional Name: 4-(3-bromo-4,5-dimethoxy-phenyl)-2-(3-hydroxypropyl)-1-keto-6,7-dimethoxy-isoquinoline-3-carboxylic acid methyl ester Formula: C24H26BrNO8 MolecularWeight: 536.36914

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26BrNO8/c1-30-17-11-14-15(12-18(17)31-2)23(28)26(7-6-8-27)21(24(29)34-5)20(14)13-9-16(25)22(33-4)19(10-13)32-3/h9-12,27H,6-8H2,1-5H3