[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 1-[5-(trifluoromethyl)-2-pyridyl]piperidine-4-carboxylate CAS Name: 1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxylic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[5-(trifluoromethyl)-2-pyridyl]isonipecotic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C22H23F3N2O3 MolecularWeight: 420.42483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C22H23F3N2O3/c1-2-15-3-5-16(6-4-15)19(28)14-30-21(29)17-9-11-27(12-10-17)20-8-7-18(13-26-20)22(23,24)25/h3-8,13,17H,2,9-12,14H2,1H3