[1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-cyanophenyl)propanoate

Systemtic Name: [1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-cyanophenyl)propanoate Openeye Name: [2-(2,4-dimethylanilino)-1-methyl-2-oxo-ethyl] 3-(4-cyanophenyl)propanoate CAS Name: 3-(4-cyanophenyl)propanoic acid [1-(2,4-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 3-(4-cyanophenyl)propanoate Traditional Name: 3-(4-cyanophenyl)propionic acid [2-(2,4-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H22N2O3 MolecularWeight: 350.41098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)OC(=O)CCC2=CC=C(C=C2)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C)OC(=O)CCC2=CC=C(C=C2)C#N)C

InChI

InChI=1S/C21H22N2O3/c1-14-4-10-19(15(2)12-14)23-21(25)16(3)26-20(24)11-9-17-5-7-18(13-22)8-6-17/h4-8,10,12,16H,9,11H2,1-3H3,(H,23,25)