tert-butyl 3-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 3-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-[4-[3-(trifluoromethyl)phenyl]-1-piperidyl]pyrrolidine-1-carboxylate CAS Name: 3-[4-[3-(trifluoromethyl)phenyl]-1-piperidinyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyrrolidine-1-carboxylate Traditional Name: 3-[4-[3-(trifluoromethyl)phenyl]piperidino]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H29F3N2O2 MolecularWeight: 398.46237

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1)N2CCC(CC2)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C1)N2CCC(CC2)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H29F3N2O2/c1-20(2,3)28-19(27)26-12-9-18(14-26)25-10-7-15(8-11-25)16-5-4-6-17(13-16)21(22,23)24/h4-6,13,15,18H,7-12,14H2,1-3H3