(3,4-dimethylphenyl) 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate

Systemtic Name: (3,4-dimethylphenyl) 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Openeye Name: (3,4-dimethylphenyl) 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperidine-4-carboxylate CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxylic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]isonipecotic acid (3,4-dimethylphenyl) ester Formula: C20H20ClF3N2O2 MolecularWeight: 412.83321

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(=O)C2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC(=O)C2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl)C

InChI

InChI=1S/C20H20ClF3N2O2/c1-12-3-4-16(9-13(12)2)28-19(27)14-5-7-26(8-6-14)18-17(21)10-15(11-25-18)20(22,23)24/h3-4,9-11,14H,5-8H2,1-2H3