4-[[3,3,3-tris(fluoranyl)propanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[3,3,3-tris(fluoranyl)propanoylamino]methyl]benzoic acid Openeye Name: 4-[(3,3,3-trifluoropropanoylamino)methyl]benzoic acid CAS Name: 4-[[(3,3,3-trifluoro-1-oxopropyl)amino]methyl]benzoic acid IUPAC Name: 4-[(3,3,3-trifluoropropanoylamino)methyl]benzoic acid Traditional Name: 4-[(3,3,3-trifluoropropanoylamino)methyl]benzoic acid Formula: C11H10F3NO3 MolecularWeight: 261.19721

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CC(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CC(F)(F)F)C(=O)O

InChI

InChI=1S/C11H10F3NO3/c12-11(13,14)5-9(16)15-6-7-1-3-8(4-2-7)10(17)18/h1-4H,5-6H2,(H,15,16)(H,17,18)