(phenylmethyl) (2S,5R)-2-(2-oxidanylidenepropyl)-5-(trifluoromethyl)pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S,5R)-2-(2-oxidanylidenepropyl)-5-(trifluoromethyl)pyrrolidine-1-carboxylate Openeye Name: benzyl (2S,5R)-2-acetonyl-5-(trifluoromethyl)pyrrolidine-1-carboxylate CAS Name: (2S,5R)-2-(2-oxopropyl)-5-(trifluoromethyl)-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,5R)-2-(2-oxopropyl)-5-(trifluoromethyl)pyrrolidine-1-carboxylate Traditional Name: (2S,5R)-2-acetonyl-5-(trifluoromethyl)pyrrolidine-1-carboxylic acid benzyl ester Formula: C16H18F3NO3 MolecularWeight: 329.31423

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1CCC(N1C(=O)OCC2=CC=CC=C2)C(F)(F)F

Isomeric SMILES

CC(=O)C[C@@H]1CC[C@@H](N1C(=O)OCC2=CC=CC=C2)C(F)(F)F

InChI

InChI=1S/C16H18F3NO3/c1-11(21)9-13-7-8-14(16(17,18)19)20(13)15(22)23-10-12-5-3-2-4-6-12/h2-6,13-14H,7-10H2,1H3/t13-,14+/m0/s1