1-[2-chloranyl-4,5-bis(fluoranyl)phenyl]carbonylpiperidine-3-carboxylic acid

Systemtic Name: 1-[2-chloranyl-4,5-bis(fluoranyl)phenyl]carbonylpiperidine-3-carboxylic acid Openeye Name: 1-(2-chloro-4,5-difluoro-benzoyl)piperidine-3-carboxylic acid CAS Name: 1-[(2-chloro-4,5-difluorophenyl)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(2-chloro-4,5-difluorobenzoyl)piperidine-3-carboxylic acid Traditional Name: 1-(2-chloro-4,5-difluoro-benzoyl)nipecotic acid Formula: C13H12ClF2NO3 MolecularWeight: 303.689086

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC(=C(C=C2Cl)F)F)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC(=C(C=C2Cl)F)F)C(=O)O

InChI

InChI=1S/C13H12ClF2NO3/c14-9-5-11(16)10(15)4-8(9)12(18)17-3-1-2-7(6-17)13(19)20/h4-5,7H,1-3,6H2,(H,19,20)