3-(1H-imidazol-5-yl)-2-[[2-(trifluoromethyl)phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-(1H-imidazol-5-yl)-2-[[2-(trifluoromethyl)phenyl]carbonylamino]propanoic acid Openeye Name: 3-(1H-imidazol-5-yl)-2-[[2-(trifluoromethyl)benzoyl]amino]propanoic acid CAS Name: 3-(1H-imidazol-5-yl)-2-[[oxo-[2-(trifluoromethyl)phenyl]methyl]amino]propanoic acid IUPAC Name: 3-(1H-imidazol-5-yl)-2-[[2-(trifluoromethyl)benzoyl]amino]propanoic acid Traditional Name: 3-(1H-imidazol-5-yl)-2-[[2-(trifluoromethyl)benzoyl]amino]propionic acid Formula: C14H12F3N3O3 MolecularWeight: 327.25859

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(CC2=CN=CN2)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(CC2=CN=CN2)C(=O)O)C(F)(F)F

InChI

InChI=1S/C14H12F3N3O3/c15-14(16,17)10-4-2-1-3-9(10)12(21)20-11(13(22)23)5-8-6-18-7-19-8/h1-4,6-7,11H,5H2,(H,18,19)(H,20,21)(H,22,23)