(3S)-1-(5-chloranyl-2-fluoranyl-phenyl)carbonylpiperidine-3-carboxylic acid

Systemtic Name: (3S)-1-(5-chloranyl-2-fluoranyl-phenyl)carbonylpiperidine-3-carboxylic acid Openeye Name: (3S)-1-(5-chloro-2-fluoro-benzoyl)piperidine-3-carboxylic acid CAS Name: (3S)-1-[(5-chloro-2-fluorophenyl)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-(5-chloro-2-fluorobenzoyl)piperidine-3-carboxylic acid Traditional Name: (3S)-1-(5-chloro-2-fluoro-benzoyl)nipecotic acid Formula: C13H13ClFNO3 MolecularWeight: 285.698623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClFNO3/c14-9-3-4-11(15)10(6-9)12(17)16-5-1-2-8(7-16)13(18)19/h3-4,6,8H,1-2,5,7H2,(H,18,19)/t8-/m0/s1