4,4,4-tris(fluoranyl)-3-[(4-methylphenyl)carbonylamino]butanoic acid

Systemtic Name: 4,4,4-tris(fluoranyl)-3-[(4-methylphenyl)carbonylamino]butanoic acid Openeye Name: 4,4,4-trifluoro-3-[(4-methylbenzoyl)amino]butanoic acid CAS Name: 4,4,4-trifluoro-3-[[(4-methylphenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 4,4,4-trifluoro-3-[(4-methylbenzoyl)amino]butanoic acid Traditional Name: 4,4,4-trifluoro-3-(p-toluoylamino)butyric acid Formula: C12H12F3NO3 MolecularWeight: 275.22379

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(CC(=O)O)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(CC(=O)O)C(F)(F)F

InChI

InChI=1S/C12H12F3NO3/c1-7-2-4-8(5-3-7)11(19)16-9(6-10(17)18)12(13,14)15/h2-5,9H,6H2,1H3,(H,16,19)(H,17,18)