(2-cyanophenyl)methyl (3S)-5-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylate

Systemtic Name: (2-cyanophenyl)methyl (3S)-5-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylate Openeye Name: (2-cyanophenyl)methyl (3S)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylate CAS Name: (3S)-5-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyrrolidinecarboxylic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl (3S)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid (2-cyanobenzyl) ester Formula: C20H15F3N2O3 MolecularWeight: 388.33991

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)OCC3=CC=CC=C3C#N

Isomeric SMILES

C1[C@@H](CN(C1=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)OCC3=CC=CC=C3C#N

InChI

InChI=1S/C20H15F3N2O3/c21-20(22,23)16-6-3-7-17(9-16)25-11-15(8-18(25)26)19(27)28-12-14-5-2-1-4-13(14)10-24/h1-7,9,15H,8,11-12H2/t15-/m0/s1