tert-butyl 2-[3,5-bis(trifluoromethyl)phenyl]-2-(2-oxidanylidene-1H-imidazol-3-yl)piperidine-1-carboxylate

Systemtic Name: tert-butyl 2-[3,5-bis(trifluoromethyl)phenyl]-2-(2-oxidanylidene-1H-imidazol-3-yl)piperidine-1-carboxylate Openeye Name: tert-butyl 2-[3,5-bis(trifluoromethyl)phenyl]-2-(2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylate CAS Name: 2-[3,5-bis(trifluoromethyl)phenyl]-2-(2-oxo-1H-imidazol-3-yl)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3,5-bis(trifluoromethyl)phenyl]-2-(2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylate Traditional Name: 2-[3,5-bis(trifluoromethyl)phenyl]-2-(2-keto-4-imidazolin-1-yl)piperidine-1-carboxylic acid tert-butyl ester Formula: C21H23F6N3O3 MolecularWeight: 479.416039

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCCC1(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N3C=CNC3=O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCCC1(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N3C=CNC3=O

InChI

InChI=1S/C21H23F6N3O3/c1-18(2,3)33-17(32)30-8-5-4-6-19(30,29-9-7-28-16(29)31)13-10-14(20(22,23)24)12-15(11-13)21(25,26)27/h7,9-12H,4-6,8H2,1-3H3,(H,28,31)