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

Systemtic Name: 2-[5-bromanyl-2-oxidanylidene-3-[[4-(trifluoromethyl)phenyl]carbonylamino]pyridin-1-yl]-3-phenylmethoxy-propanoic acid Openeye Name: 3-benzyloxy-2-[5-bromo-2-oxo-3-[[4-(trifluoromethyl)benzoyl]amino]-1-pyridyl]propanoic acid CAS Name: 2-[5-bromo-2-oxo-3-[[oxo-[4-(trifluoromethyl)phenyl]methyl]amino]-1-pyridinyl]-3-phenylmethoxypropanoic acid IUPAC Name: 2-[5-bromo-2-oxo-3-[[4-(trifluoromethyl)benzoyl]amino]pyridin-1-yl]-3-phenylmethoxypropanoic acid Traditional Name: 3-benzoxy-2-[5-bromo-2-keto-3-[[4-(trifluoromethyl)benzoyl]amino]-1-pyridyl]propionic acid Formula: C23H18BrF3N2O5 MolecularWeight: 539.29863

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H18BrF3N2O5/c24-17-10-18(28-20(30)15-6-8-16(9-7-15)23(25,26)27)21(31)29(11-17)19(22(32)33)13-34-12-14-4-2-1-3-5-14/h1-11,19H,12-13H2,(H,28,30)(H,32,33)