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

Systemtic Name: methyl (Z)-4-[[4-[(6,7-dimethoxyisoquinolin-1-yl)methyl]phenyl]amino]-4-oxidanylidene-but-2-enoate Openeye Name: methyl (Z)-4-[4-[(6,7-dimethoxy-1-isoquinolyl)methyl]anilino]-4-oxo-but-2-enoate CAS Name: (Z)-4-[4-[(6,7-dimethoxy-1-isoquinolinyl)methyl]anilino]-4-oxo-2-butenoic acid methyl ester IUPAC Name: methyl (Z)-4-[4-[(6,7-dimethoxyisoquinolin-1-yl)methyl]anilino]-4-oxobut-2-enoate Traditional Name: (Z)-4-[4-[(6,7-dimethoxy-1-isoquinolyl)methyl]anilino]-4-keto-but-2-enoic acid methyl ester Formula: C23H22N2O5 MolecularWeight: 406.43118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC=C(C=C3)NC(=O)C=CC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC=C(C=C3)NC(=O)/C=C\C(=O)OC)OC

InChI

InChI=1S/C23H22N2O5/c1-28-20-13-16-10-11-24-19(18(16)14-21(20)29-2)12-15-4-6-17(7-5-15)25-22(26)8-9-23(27)30-3/h4-11,13-14H,12H2,1-3H3,(H,25,26)/b9-8-