[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (2S)-2-phenoxypropanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (2S)-2-phenoxypropanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] (2S)-2-phenoxypropanoate CAS Name: (2S)-2-phenoxypropanoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] (2S)-2-phenoxypropanoate Traditional Name: (2S)-2-phenoxypropionic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C14H16N2O4 MolecularWeight: 276.28784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NCCC#N)OC1=CC=CC=C1

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NCCC#N)OC1=CC=CC=C1

InChI

InChI=1S/C14H16N2O4/c1-11(20-12-6-3-2-4-7-12)14(18)19-10-13(17)16-9-5-8-15/h2-4,6-7,11H,5,9-10H2,1H3,(H,16,17)/t11-/m0/s1