1-(4-cyano-2-fluoranyl-phenyl)piperidine-4-carboxylic acid

Systemtic Name: 1-(4-cyano-2-fluoranyl-phenyl)piperidine-4-carboxylic acid Openeye Name: 1-(4-cyano-2-fluoro-phenyl)piperidine-4-carboxylic acid CAS Name: 1-(4-cyano-2-fluorophenyl)-4-piperidinecarboxylic acid IUPAC Name: 1-(4-cyano-2-fluorophenyl)piperidine-4-carboxylic acid Traditional Name: 1-(4-cyano-2-fluoro-phenyl)isonipecotic acid Formula: C13H13FN2O2 MolecularWeight: 248.252923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13FN2O2/c14-11-7-9(8-15)1-2-12(11)16-5-3-10(4-6-16)13(17)18/h1-2,7,10H,3-6H2,(H,17,18)