[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(2-phenylethanoylamino)benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(2-phenylethanoylamino)benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-[(2-phenylacetyl)amino]benzoate CAS Name: 2-[(1-oxo-2-phenylethyl)amino]benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate Traditional Name: 2-[(2-phenylacetyl)amino]benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C20H19N3O4 MolecularWeight: 365.38256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC2=CC=CC=C2C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC2=CC=CC=C2C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C20H19N3O4/c21-11-6-12-22-19(25)14-27-20(26)16-9-4-5-10-17(16)23-18(24)13-15-7-2-1-3-8-15/h1-5,7-10H,6,12-14H2,(H,22,25)(H,23,24)