(3S)-1-[2,6-bis(fluoranyl)phenyl]carbonylpiperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[2,6-bis(fluoranyl)phenyl]carbonylpiperidine-3-carboxylic acid Openeye Name: (3S)-1-(2,6-difluorobenzoyl)piperidine-3-carboxylic acid CAS Name: (3S)-1-[(2,6-difluorophenyl)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-(2,6-difluorobenzoyl)piperidine-3-carboxylic acid Traditional Name: (3S)-1-(2,6-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=C2F)F)C(=O)O

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=C(C=CC=C2F)F)C(=O)O

InChI

InChI=1S/C13H13F2NO3/c14-9-4-1-5-10(15)11(9)12(17)16-6-2-3-8(7-16)13(18)19/h1,4-5,8H,2-3,6-7H2,(H,18,19)/t8-/m0/s1