[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-(dimethylamino)benzoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-(dimethylamino)benzoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 3-(dimethylamino)benzoate CAS Name: 3-(dimethylamino)benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3-(dimethylamino)benzoate Traditional Name: 3-(dimethylamino)benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C20H21N3O3 MolecularWeight: 351.39904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC(=C1)C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2

Isomeric SMILES

CN(C)C1=CC=CC(=C1)C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2

InChI

InChI=1S/C20H21N3O3/c1-22(2)18-11-6-8-16(14-18)20(25)26-15-19(24)23(13-7-12-21)17-9-4-3-5-10-17/h3-6,8-11,14H,7,13,15H2,1-2H3