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

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

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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

C1CC(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)