[2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] (2S)-2-(4-cyanophenoxy)propanoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] (2S)-2-(4-cyanophenoxy)propanoate Openeye Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] (2S)-2-(4-cyanophenoxy)propanoate CAS Name: (2S)-2-(4-cyanophenoxy)propanoic acid [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] (2S)-2-(4-cyanophenoxy)propanoate Traditional Name: (2S)-2-(4-cyanophenoxy)propionic acid [2-keto-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester Formula: C21H22N2O4 MolecularWeight: 366.41038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)COC(=O)C(C)OC1=CC=C(C=C1)C#N)C2=CC=CC=C2

Isomeric SMILES

C[C@H](CNC(=O)COC(=O)[C@H](C)OC1=CC=C(C=C1)C#N)C2=CC=CC=C2

InChI

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