1-[2-cyano-4-(trifluoromethyl)phenyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-cyano-4-(trifluoromethyl)phenyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-cyano-4-(trifluoromethyl)phenyl]piperidine-3-carboxylic acid CAS Name: 1-[2-cyano-4-(trifluoromethyl)phenyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-cyano-4-(trifluoromethyl)phenyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-cyano-4-(trifluoromethyl)phenyl]nipecotic acid Formula: C14H13F3N2O2 MolecularWeight: 298.26043

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=C(C=C2)C(F)(F)F)C#N)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C2=C(C=C(C=C2)C(F)(F)F)C#N)C(=O)O

InChI

InChI=1S/C14H13F3N2O2/c15-14(16,17)11-3-4-12(10(6-11)7-18)19-5-1-2-9(8-19)13(20)21/h3-4,6,9H,1-2,5,8H2,(H,20,21)