methyl (Z)-4-[[4-(6,7-dimethoxyisoquinolin-1-yl)phenyl]amino]-4-oxidanylidene-but-2-enoate

Systemtic Name: methyl (Z)-4-[[4-(6,7-dimethoxyisoquinolin-1-yl)phenyl]amino]-4-oxidanylidene-but-2-enoate Openeye Name: methyl (Z)-4-[4-(6,7-dimethoxy-1-isoquinolyl)anilino]-4-oxo-but-2-enoate CAS Name: (Z)-4-[4-(6,7-dimethoxy-1-isoquinolinyl)anilino]-4-oxo-2-butenoic acid methyl ester IUPAC Name: methyl (Z)-4-[4-(6,7-dimethoxyisoquinolin-1-yl)anilino]-4-oxobut-2-enoate Traditional Name: (Z)-4-[4-(6,7-dimethoxy-1-isoquinolyl)anilino]-4-keto-but-2-enoic acid methyl ester Formula: C22H20N2O5 MolecularWeight: 392.4046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN=C2C3=CC=C(C=C3)NC(=O)C=CC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN=C2C3=CC=C(C=C3)NC(=O)/C=C\C(=O)OC)OC

InChI

InChI=1S/C22H20N2O5/c1-27-18-12-15-10-11-23-22(17(15)13-19(18)28-2)14-4-6-16(7-5-14)24-20(25)8-9-21(26)29-3/h4-13H,1-3H3,(H,24,25)/b9-8-