1-[2-cyano-4-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-cyano-4-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-cyano-4-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid CAS Name: 1-[2-cyano-4-(trifluoromethyl)phenyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-cyano-4-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-cyano-4-(trifluoromethyl)phenyl]isonipecotic acid Formula: C14H13F3N2O2 MolecularWeight: 298.26043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=C(C=C(C=C2)C(F)(F)F)C#N

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=C(C=C(C=C2)C(F)(F)F)C#N

InChI

InChI=1S/C14H13F3N2O2/c15-14(16,17)11-1-2-12(10(7-11)8-18)19-5-3-9(4-6-19)13(20)21/h1-2,7,9H,3-6H2,(H,20,21)