2-[5-bromanyl-2-oxidanylidene-3-[[4-(trifluoromethyl)phenyl]carbonylamino]pyridin-1-yl]-3-phenyl-propanoic acid

Systemtic Name: 2-[5-bromanyl-2-oxidanylidene-3-[[4-(trifluoromethyl)phenyl]carbonylamino]pyridin-1-yl]-3-phenyl-propanoic acid Openeye Name: 2-[5-bromo-2-oxo-3-[[4-(trifluoromethyl)benzoyl]amino]-1-pyridyl]-3-phenyl-propanoic acid CAS Name: 2-[5-bromo-2-oxo-3-[[oxo-[4-(trifluoromethyl)phenyl]methyl]amino]-1-pyridinyl]-3-phenylpropanoic acid IUPAC Name: 2-[5-bromo-2-oxo-3-[[4-(trifluoromethyl)benzoyl]amino]pyridin-1-yl]-3-phenylpropanoic acid Traditional Name: 2-[5-bromo-2-keto-3-[[4-(trifluoromethyl)benzoyl]amino]-1-pyridyl]-3-phenyl-propionic acid Formula: C22H16BrF3N2O4 MolecularWeight: 509.27265

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)N2C=C(C=C(C2=O)NC(=O)C3=CC=C(C=C3)C(F)(F)F)Br

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)N2C=C(C=C(C2=O)NC(=O)C3=CC=C(C=C3)C(F)(F)F)Br

InChI

InChI=1S/C22H16BrF3N2O4/c23-16-11-17(27-19(29)14-6-8-15(9-7-14)22(24,25)26)20(30)28(12-16)18(21(31)32)10-13-4-2-1-3-5-13/h1-9,11-12,18H,10H2,(H,27,29)(H,31,32)