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

Systemtic Name: (3S)-1-[2,5-bis(fluoranyl)phenyl]carbonylpiperidine-3-carboxylic acid Openeye Name: (3S)-1-(2,5-difluorobenzoyl)piperidine-3-carboxylic acid CAS Name: (3S)-1-[(2,5-difluorophenyl)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-(2,5-difluorobenzoyl)piperidine-3-carboxylic acid Traditional Name: (3S)-1-(2,5-difluorobenzoyl)nipecotic acid Formula: C13H13F2NO3 MolecularWeight: 269.244026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13F2NO3/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