2-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)methyl]-3-oxidanyl-3-[4-(trifluoromethyl)phenyl]propanoic acid

Systemtic Name: 2-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)methyl]-3-oxidanyl-3-[4-(trifluoromethyl)phenyl]propanoic acid Openeye Name: 3-hydroxy-2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanoic acid CAS Name: 3-hydroxy-2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanoic acid IUPAC Name: 3-hydroxy-2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanoic acid Traditional Name: 3-hydroxy-2-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propionic acid Formula: C21H19F3N2O4 MolecularWeight: 420.38177

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1CC(C(C2=CC=C(C=C2)C(F)(F)F)O)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=O)C1CC(C(C2=CC=C(C=C2)C(F)(F)F)O)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C21H19F3N2O4/c1-12-16(19(28)26(25-12)15-5-3-2-4-6-15)11-17(20(29)30)18(27)13-7-9-14(10-8-13)21(22,23)24/h2-10,16-18,27H,11H2,1H3,(H,29,30)