(4-cyanophenyl)methyl (3S)-5-oxidanylidene-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate

Systemtic Name: (4-cyanophenyl)methyl (3S)-5-oxidanylidene-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate Openeye Name: (4-cyanophenyl)methyl (3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate CAS Name: (3S)-5-oxo-1-[(1R)-1-phenylethyl]-3-pyrrolidinecarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl (3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid (4-cyanobenzyl) ester Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CC(CC2=O)C(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N2C[C@H](CC2=O)C(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H20N2O3/c1-15(18-5-3-2-4-6-18)23-13-19(11-20(23)24)21(25)26-14-17-9-7-16(12-22)8-10-17/h2-10,15,19H,11,13-14H2,1H3/t15-,19+/m1/s1