[1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methylbenzoate

Systemtic Name: [1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methylbenzoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-1-methyl-2-oxo-ethyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C20H20N2O3 MolecularWeight: 336.3844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3/c1-15-9-11-17(12-10-15)20(24)25-16(2)19(23)22(14-6-13-21)18-7-4-3-5-8-18/h3-5,7-12,16H,6,14H2,1-2H3