(3S)-1-[3,5-bis(fluoranyl)phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: (3S)-1-[3,5-bis(fluoranyl)phenyl]carbonylpiperidine-3-carboxylate Openeye Name: (3S)-1-(3,5-difluorobenzoyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(3,5-difluorophenyl)-oxomethyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-(3,5-difluorobenzoyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(3,5-difluorobenzoyl)nipecotate Formula: C13H12F2NO3- MolecularWeight: 268.236086

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC(=CC(=C2)F)F)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H13F2NO3/c14-10-4-9(5-11(15)6-10)12(17)16-3-1-2-8(7-16)13(18)19/h4-6,8H,1-3,7H2,(H,18,19)/p-1/t8-/m0/s1