butyl 3-(pyridin-2-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidine-3-carboxylate

Systemtic Name: butyl 3-(pyridin-2-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidine-3-carboxylate Openeye Name: butyl 3-(2-pyridylmethyl)-1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidine-3-carboxylate CAS Name: 1-[oxo-[4-(trifluoromethyl)anilino]methyl]-3-(2-pyridinylmethyl)-3-piperidinecarboxylic acid butyl ester IUPAC Name: butyl 3-(pyridin-2-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidine-3-carboxylate Traditional Name: 3-(2-pyridylmethyl)-1-[[4-(trifluoromethyl)phenyl]carbamoyl]nipecotic acid butyl ester Formula: C24H28F3N3O3 MolecularWeight: 463.49263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1(CCCN(C1)C(=O)NC2=CC=C(C=C2)C(F)(F)F)CC3=CC=CC=N3

Isomeric SMILES

CCCCOC(=O)C1(CCCN(C1)C(=O)NC2=CC=C(C=C2)C(F)(F)F)CC3=CC=CC=N3

InChI

InChI=1S/C24H28F3N3O3/c1-2-3-15-33-21(31)23(16-20-7-4-5-13-28-20)12-6-14-30(17-23)22(32)29-19-10-8-18(9-11-19)24(25,26)27/h4-5,7-11,13H,2-3,6,12,14-17H2,1H3,(H,29,32)