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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C2=C(C=C(C=C2)C(F)(F)F)C#N

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C2=C(C=C(C=C2)C(F)(F)F)C#N

InChI

InChI=1S/C14H13F3N2O2/c15-14(16,17)10-4-5-11(9(7-10)8-18)19-6-2-1-3-12(19)13(20)21/h4-5,7,12H,1-3,6H2,(H,20,21)