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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C(C)OC2=CC=C(C=C2)C#N

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC1=CC=CC=C1C(C)C)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H22N2O4/c1-14(2)18-6-4-5-7-19(18)23-20(24)13-26-21(25)15(3)27-17-10-8-16(12-22)9-11-17/h4-11,14-15H,13H2,1-3H3,(H,23,24)/t15-/m0/s1