tert-butyl 4-ethyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylate

Systemtic Name: tert-butyl 4-ethyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylate Openeye Name: tert-butyl 4-ethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylate CAS Name: 4-ethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-ethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylate Traditional Name: 4-ethyl-2-keto-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid tert-butyl ester Formula: C18H22F3NO3 MolecularWeight: 357.36739

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(C(=O)C1C(=O)OC(C)(C)C)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CCC1CN(C(=O)C1C(=O)OC(C)(C)C)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C18H22F3NO3/c1-5-11-10-22(13-8-6-7-12(9-13)18(19,20)21)15(23)14(11)16(24)25-17(2,3)4/h6-9,11,14H,5,10H2,1-4H3