tert-butyl 3-[cyclopentyl-[2-(trifluoromethyl)phenyl]carbonyl-amino]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 3-[cyclopentyl-[2-(trifluoromethyl)phenyl]carbonyl-amino]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-[cyclopentyl-[2-(trifluoromethyl)benzoyl]amino]pyrrolidine-1-carboxylate CAS Name: 3-[cyclopentyl-[oxo-[2-(trifluoromethyl)phenyl]methyl]amino]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[cyclopentyl-[2-(trifluoromethyl)benzoyl]amino]pyrrolidine-1-carboxylate Traditional Name: 3-[cyclopentyl-[2-(trifluoromethyl)benzoyl]amino]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H29F3N2O3 MolecularWeight: 426.47247

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1)N(C2CCCC2)C(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C1)N(C2CCCC2)C(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C22H29F3N2O3/c1-21(2,3)30-20(29)26-13-12-16(14-26)27(15-8-4-5-9-15)19(28)17-10-6-7-11-18(17)22(23,24)25/h6-7,10-11,15-16H,4-5,8-9,12-14H2,1-3H3