[(1R)-1-cyanoethyl] (3S)-1-(2-ethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [(1R)-1-cyanoethyl] (3S)-1-(2-ethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [(1R)-1-cyanoethyl] (3S)-1-(2-ethylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2-ethylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2-ethylphenyl)-5-keto-pyrrolidine-3-carboxylic acid [(1R)-1-cyanoethyl] ester Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2CC(CC2=O)C(=O)OC(C)C#N

Isomeric SMILES

CCC1=CC=CC=C1N2C[C@H](CC2=O)C(=O)O[C@H](C)C#N

InChI

InChI=1S/C16H18N2O3/c1-3-12-6-4-5-7-14(12)18-10-13(8-15(18)19)16(20)21-11(2)9-17/h4-7,11,13H,3,8,10H2,1-2H3/t11-,13+/m1/s1