1-[3,5-bis(trifluoromethyl)phenyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]piperidine-4-carboxylic acid Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]piperidine-4-carboxylic acid CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]piperidine-4-carboxylic acid Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]isonipecotic acid Formula: C14H13F6NO2 MolecularWeight: 341.248939

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C14H13F6NO2/c15-13(16,17)9-5-10(14(18,19)20)7-11(6-9)21-3-1-8(2-4-21)12(22)23/h5-8H,1-4H2,(H,22,23)