(2,6-dimethylphenyl) 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate

Systemtic Name: (2,6-dimethylphenyl) 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Openeye Name: (2,6-dimethylphenyl) 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperidine-4-carboxylate CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxylic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]isonipecotic acid (2,6-dimethylphenyl) ester Formula: C20H20ClF3N2O2 MolecularWeight: 412.83321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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