tert-butyl (2S,3S)-3-phenyl-2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S,3S)-3-phenyl-2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S,3S)-3-phenyl-2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxylate CAS Name: (2S,3S)-3-phenyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3S)-3-phenyl-2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxylate Traditional Name: (2S,3S)-3-phenyl-2-[4-(trifluoromethyl)benzyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C23H26F3NO2 MolecularWeight: 405.45325

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1CC2=CC=C(C=C2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[C@H]([C@@H]1CC2=CC=C(C=C2)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C23H26F3NO2/c1-22(2,3)29-21(28)27-14-13-19(17-7-5-4-6-8-17)20(27)15-16-9-11-18(12-10-16)23(24,25)26/h4-12,19-20H,13-15H2,1-3H3/t19-,20-/m0/s1