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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC(=C(C=C2)Cl)F)C(=O)O

Isomeric SMILES

C1C[C@@H](CN(C1)CC2=CC(=C(C=C2)Cl)F)C(=O)O

InChI

InChI=1S/C13H15ClFNO2/c14-11-4-3-9(6-12(11)15)7-16-5-1-2-10(8-16)13(17)18/h3-4,6,10H,1-2,5,7-8H2,(H,17,18)/t10-/m0/s1