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

Systemtic Name: 1-(4-chloranyl-2-cyano-phenyl)piperidine-4-carboxylic acid Openeye Name: 1-(4-chloro-2-cyano-phenyl)piperidine-4-carboxylic acid CAS Name: 1-(4-chloro-2-cyanophenyl)-4-piperidinecarboxylic acid IUPAC Name: 1-(4-chloro-2-cyanophenyl)piperidine-4-carboxylic acid Traditional Name: 1-(4-chloro-2-cyano-phenyl)isonipecotic acid Formula: C13H13ClN2O2 MolecularWeight: 264.70752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClN2O2/c14-11-1-2-12(10(7-11)8-15)16-5-3-9(4-6-16)13(17)18/h1-2,7,9H,3-6H2,(H,17,18)