ethyl 1-[4-cyano-3-(trifluoromethyl)phenyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-cyano-3-(trifluoromethyl)phenyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-cyano-3-(trifluoromethyl)phenyl]piperidine-4-carboxylate CAS Name: 1-[4-cyano-3-(trifluoromethyl)phenyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-cyano-3-(trifluoromethyl)phenyl]piperidine-4-carboxylate Traditional Name: 1-[4-cyano-3-(trifluoromethyl)phenyl]isonipecotic acid ethyl ester Formula: C16H17F3N2O2 MolecularWeight: 326.31359

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=CC(=C(C=C2)C#N)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=CC(=C(C=C2)C#N)C(F)(F)F

InChI

InChI=1S/C16H17F3N2O2/c1-2-23-15(22)11-5-7-21(8-6-11)13-4-3-12(10-20)14(9-13)16(17,18)19/h3-4,9,11H,2,5-8H2,1H3