4-[4-[(3-methoxy-4-phenylmethoxy-phenyl)methylidene]-5-oxidanylidene-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[4-[(3-methoxy-4-phenylmethoxy-phenyl)methylidene]-5-oxidanylidene-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid Openeye Name: 4-[4-[(4-benzyloxy-3-methoxy-phenyl)methylene]-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid CAS Name: 4-[4-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-5-oxo-3-(trifluoromethyl)-1-pyrazolyl]benzoic acid IUPAC Name: 4-[4-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid Traditional Name: 4-[4-(4-benzoxy-3-methoxy-benzylidene)-5-keto-3-(trifluoromethyl)-2-pyrazolin-1-yl]benzoic acid Formula: C26H19F3N2O5 MolecularWeight: 496.43467

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C(F)(F)F)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C(F)(F)F)OCC4=CC=CC=C4

InChI

InChI=1S/C26H19F3N2O5/c1-35-22-14-17(7-12-21(22)36-15-16-5-3-2-4-6-16)13-20-23(26(27,28)29)30-31(24(20)32)19-10-8-18(9-11-19)25(33)34/h2-14H,15H2,1H3,(H,33,34)