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

Systemtic Name: (4-methoxycarbonylphenyl) 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Openeye Name: (4-methoxycarbonylphenyl) 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperidine-4-carboxylate CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxylic acid (4-methoxycarbonylphenyl) ester IUPAC Name: (4-methoxycarbonylphenyl) 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]isonipecotic acid (4-carbomethoxyphenyl) ester Formula: C20H18ClF3N2O4 MolecularWeight: 442.81613

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClF3N2O4/c1-29-18(27)12-2-4-15(5-3-12)30-19(28)13-6-8-26(9-7-13)17-16(21)10-14(11-25-17)20(22,23)24/h2-5,10-11,13H,6-9H2,1H3