4,4,4-tris(fluoranyl)-3-(2-phenylethanoylamino)butanoic acid

Systemtic Name: 4,4,4-tris(fluoranyl)-3-(2-phenylethanoylamino)butanoic acid Openeye Name: 4,4,4-trifluoro-3-[(2-phenylacetyl)amino]butanoic acid CAS Name: 4,4,4-trifluoro-3-[(1-oxo-2-phenylethyl)amino]butanoic acid IUPAC Name: 4,4,4-trifluoro-3-[(2-phenylacetyl)amino]butanoic acid Traditional Name: 4,4,4-trifluoro-3-[(2-phenylacetyl)amino]butyric acid Formula: C12H12F3NO3 MolecularWeight: 275.22379

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12F3NO3/c13-12(14,15)9(7-11(18)19)16-10(17)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,16,17)(H,18,19)