(3S)-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[(2-chloro-6-fluoro-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[(2-chloro-6-fluorophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-(2-chloro-6-fluoro-benzyl)nipecotic acid Formula: C13H15ClFNO2 MolecularWeight: 271.715103

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=C(C=CC=C2Cl)F)C(=O)O

Isomeric SMILES

C1C[C@@H](CN(C1)CC2=C(C=CC=C2Cl)F)C(=O)O

InChI

InChI=1S/C13H15ClFNO2/c14-11-4-1-5-12(15)10(11)8-16-6-2-3-9(7-16)13(17)18/h1,4-5,9H,2-3,6-8H2,(H,17,18)/t9-/m0/s1