[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(4-ethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(4-ethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] (3S)-1-(4-ethylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(4-ethylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] (3S)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(4-ethylphenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)OCC(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H21N3O4/c1-2-15-5-9-19(10-6-15)25-13-17(11-21(25)27)22(28)29-14-20(26)24-18-7-3-16(12-23)4-8-18/h3-10,17H,2,11,13-14H2,1H3,(H,24,26)/t17-/m0/s1