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

Systemtic Name: (2,4-dimethylphenyl) 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Openeye Name: (2,4-dimethylphenyl) 1-[5-(trifluoromethyl)-2-pyridyl]piperidine-4-carboxylate CAS Name: 1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxylic acid (2,4-dimethylphenyl) ester IUPAC Name: (2,4-dimethylphenyl) 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[5-(trifluoromethyl)-2-pyridyl]isonipecotic acid (2,4-dimethylphenyl) ester Formula: C20H21F3N2O2 MolecularWeight: 378.38815

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21F3N2O2/c1-13-3-5-17(14(2)11-13)27-19(26)15-7-9-25(10-8-15)18-6-4-16(12-24-18)20(21,22)23/h3-6,11-12,15H,7-10H2,1-2H3