(3S)-1-[2,4,5-tris(fluoranyl)-3-oxidanidyl-phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: (3S)-1-[2,4,5-tris(fluoranyl)-3-oxidanidyl-phenyl]carbonylpiperidine-3-carboxylate Openeye Name: (3S)-1-(2,4,5-trifluoro-3-oxido-benzoyl)piperidine-3-carboxylate CAS Name: (3S)-1-[oxo-(2,4,5-trifluoro-3-oxidophenyl)methyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-(2,4,5-trifluoro-3-oxidobenzoyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(2,4,5-trifluoro-3-oxido-benzoyl)nipecotate Formula: C13H10F3NO4-2 MolecularWeight: 301.21801

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC(=C(C(=C2F)[O-])F)F)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H12F3NO4/c14-8-4-7(9(15)11(18)10(8)16)12(19)17-3-1-2-6(5-17)13(20)21/h4,6,18H,1-3,5H2,(H,20,21)/p-2/t6-/m0/s1