(2-chloranyl-5-methyl-phenyl) 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate

Systemtic Name: (2-chloranyl-5-methyl-phenyl) 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Openeye Name: (2-chloro-5-methyl-phenyl) 1-[5-(trifluoromethyl)-2-pyridyl]piperidine-4-carboxylate CAS Name: 1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxylic acid (2-chloro-5-methylphenyl) ester IUPAC Name: (2-chloro-5-methylphenyl) 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[5-(trifluoromethyl)-2-pyridyl]isonipecotic acid (2-chloro-5-methyl-phenyl) ester Formula: C19H18ClF3N2O2 MolecularWeight: 398.80663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClF3N2O2/c1-12-2-4-15(20)16(10-12)27-18(26)13-6-8-25(9-7-13)17-5-3-14(11-24-17)19(21,22)23/h2-5,10-11,13H,6-9H2,1H3