(phenylmethyl) (2S)-1-[3,5-bis(trifluoromethyl)phenyl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-[3,5-bis(trifluoromethyl)phenyl]carbonylpyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-[3,5-bis(trifluoromethyl)benzoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[3,5-bis(trifluoromethyl)phenyl]-oxomethyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-[3,5-bis(trifluoromethyl)benzoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[3,5-bis(trifluoromethyl)benzoyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C21H17F6NO3 MolecularWeight: 445.354999

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H17F6NO3/c22-20(23,24)15-9-14(10-16(11-15)21(25,26)27)18(29)28-8-4-7-17(28)19(30)31-12-13-5-2-1-3-6-13/h1-3,5-6,9-11,17H,4,7-8,12H2/t17-/m0/s1