1-[(2-chloranyl-3-fluoranyl-phenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2-chloranyl-3-fluoranyl-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2-chloro-3-fluoro-phenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-chloro-3-fluorophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-chloro-3-fluorophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-(2-chloro-3-fluoro-benzyl)isonipecotic acid Formula: C13H15ClFNO2 MolecularWeight: 271.715103

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CC2=C(C(=CC=C2)F)Cl

Isomeric SMILES

C1CN(CCC1C(=O)O)CC2=C(C(=CC=C2)F)Cl

InChI

InChI=1S/C13H15ClFNO2/c14-12-10(2-1-3-11(12)15)8-16-6-4-9(5-7-16)13(17)18/h1-3,9H,4-8H2,(H,17,18)