4-[[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: 4-[[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: 4-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-anilino]-4-oxo-but-2-enoic acid CAS Name: 4-[2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyanilino]-4-oxo-2-butenoic acid IUPAC Name: 4-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyanilino]-4-oxobut-2-enoic acid Traditional Name: 4-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-anilino]-4-keto-but-2-enoic acid Formula: C24H24N2O7 MolecularWeight: 452.45656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)C=CC(=O)O)OC)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)C=CC(=O)O)OC)OC)OC

InChI

InChI=1S/C24H24N2O7/c1-30-19-10-14-7-8-25-18(16(14)12-21(19)32-3)9-15-11-20(31-2)22(33-4)13-17(15)26-23(27)5-6-24(28)29/h5-8,10-13H,9H2,1-4H3,(H,26,27)(H,28,29)