[(2R)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(phenethylamino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate CAS Name: (2S)-2-(4-cyanophenoxy)propanoic acid [(2R)-1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(phenethylamino)propan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate Traditional Name: (2S)-2-(4-cyanophenoxy)propionic acid [(1R)-2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C21H22N2O4 MolecularWeight: 366.41038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C(C)OC2=CC=C(C=C2)C#N

Isomeric SMILES

C[C@H](C(=O)NCCC1=CC=CC=C1)OC(=O)[C@H](C)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H22N2O4/c1-15(20(24)23-13-12-17-6-4-3-5-7-17)27-21(25)16(2)26-19-10-8-18(14-22)9-11-19/h3-11,15-16H,12-13H2,1-2H3,(H,23,24)/t15-,16+/m1/s1