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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C2=CC(=C(C=C2Cl)F)F

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)C2=CC(=C(C=C2Cl)F)F

InChI

InChI=1S/C13H12ClF2NO3/c14-9-6-11(16)10(15)5-8(9)12(18)17-3-1-7(2-4-17)13(19)20/h5-7H,1-4H2,(H,19,20)