4-[[2-[(Z)-2-cyano-3-(dimethylamino)-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[2-[(Z)-2-cyano-3-(dimethylamino)-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[(Z)-2-cyano-3-(dimethylamino)-3-oxo-prop-1-enyl]phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[(Z)-2-cyano-3-(dimethylamino)-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[(Z)-2-cyano-3-(dimethylamino)-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[(Z)-2-cyano-3-(dimethylamino)-3-keto-prop-1-enyl]phenoxy]methyl]benzoic acid Formula: C20H18N2O4 MolecularWeight: 350.36792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(=CC1=CC=CC=C1OCC2=CC=C(C=C2)C(=O)O)C#N

Isomeric SMILES

CN(C)C(=O)/C(=C\C1=CC=CC=C1OCC2=CC=C(C=C2)C(=O)O)/C#N

InChI

InChI=1S/C20H18N2O4/c1-22(2)19(23)17(12-21)11-16-5-3-4-6-18(16)26-13-14-7-9-15(10-8-14)20(24)25/h3-11H,13H2,1-2H3,(H,24,25)/b17-11-