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

Systemtic Name: 4-[4-[(4-butoxy-3-methoxy-phenyl)methylidene]-5-oxidanylidene-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid Openeye Name: 4-[4-[(4-butoxy-3-methoxy-phenyl)methylene]-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid CAS Name: 4-[4-[(4-butoxy-3-methoxyphenyl)methylidene]-5-oxo-3-(trifluoromethyl)-1-pyrazolyl]benzoic acid IUPAC Name: 4-[4-[(4-butoxy-3-methoxyphenyl)methylidene]-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid Traditional Name: 4-[4-(4-butoxy-3-methoxy-benzylidene)-5-keto-3-(trifluoromethyl)-2-pyrazolin-1-yl]benzoic acid Formula: C23H21F3N2O5 MolecularWeight: 462.41845

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C(F)(F)F)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C(F)(F)F)OC

InChI

InChI=1S/C23H21F3N2O5/c1-3-4-11-33-18-10-5-14(13-19(18)32-2)12-17-20(23(24,25)26)27-28(21(17)29)16-8-6-15(7-9-16)22(30)31/h5-10,12-13H,3-4,11H2,1-2H3,(H,30,31)