1-[2,4,5-tris(fluoranyl)-3-oxidanyl-phenyl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[2,4,5-tris(fluoranyl)-3-oxidanyl-phenyl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-(2,4,5-trifluoro-3-hydroxy-benzoyl)piperidine-4-carboxylic acid CAS Name: 1-[oxo-(2,4,5-trifluoro-3-hydroxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(2,4,5-trifluoro-3-hydroxybenzoyl)piperidine-4-carboxylic acid Traditional Name: 1-(2,4,5-trifluoro-3-hydroxy-benzoyl)isonipecotic acid Formula: C13H12F3NO4 MolecularWeight: 303.23389

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C2=CC(=C(C(=C2F)O)F)F

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)C2=CC(=C(C(=C2F)O)F)F

InChI

InChI=1S/C13H12F3NO4/c14-8-5-7(9(15)11(18)10(8)16)12(19)17-3-1-6(2-4-17)13(20)21/h5-6,18H,1-4H2,(H,20,21)