[2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] (2S)-2-(4-cyanophenoxy)propanoate

Systemtic Name: [2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] (2S)-2-(4-cyanophenoxy)propanoate Openeye Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] (2S)-2-(4-cyanophenoxy)propanoate CAS Name: (2S)-2-(4-cyanophenoxy)propanoic acid [2-oxo-2-[4-(1-oxopropylamino)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] (2S)-2-(4-cyanophenoxy)propanoate Traditional Name: (2S)-2-(4-cyanophenoxy)propionic acid [2-keto-2-(4-propionamidophenyl)ethyl] ester Formula: C21H20N2O5 MolecularWeight: 380.3939

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C(C)OC2=CC=C(C=C2)C#N

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)[C@H](C)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H20N2O5/c1-3-20(25)23-17-8-6-16(7-9-17)19(24)13-27-21(26)14(2)28-18-10-4-15(12-22)5-11-18/h4-11,14H,3,13H2,1-2H3,(H,23,25)/t14-/m0/s1