4-[(4Z)-5-oxidanylidene-4-[[2-[4-[(E)-2-phenylethenyl]phenoxy]-5-(trifluoromethyl)phenyl]methylidene]-3-propan-2-yl-pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[(4Z)-5-oxidanylidene-4-[[2-[4-[(E)-2-phenylethenyl]phenoxy]-5-(trifluoromethyl)phenyl]methylidene]-3-propan-2-yl-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4Z)-3-isopropyl-5-oxo-4-[[2-[4-[(E)-styryl]phenoxy]-5-(trifluoromethyl)phenyl]methylene]pyrazol-1-yl]benzoic acid CAS Name: 4-[(4Z)-5-oxo-4-[[2-[4-[(E)-2-phenylethenyl]phenoxy]-5-(trifluoromethyl)phenyl]methylidene]-3-propan-2-yl-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4Z)-5-oxo-4-[[2-[4-[(E)-2-phenylethenyl]phenoxy]-5-(trifluoromethyl)phenyl]methylidene]-3-propan-2-ylpyrazol-1-yl]benzoic acid Traditional Name: 4-[(4Z)-3-isopropyl-5-keto-4-[2-[4-[(E)-styryl]phenoxy]-5-(trifluoromethyl)benzylidene]-2-pyrazolin-1-yl]benzoic acid Formula: C35H27F3N2O4 MolecularWeight: 596.59509

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C(=O)C1=CC2=C(C=CC(=C2)C(F)(F)F)OC3=CC=C(C=C3)C=CC4=CC=CC=C4)C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

CC(C)C\1=NN(C(=O)/C1=C\C2=C(C=CC(=C2)C(F)(F)F)OC3=CC=C(C=C3)/C=C/C4=CC=CC=C4)C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C35H27F3N2O4/c1-22(2)32-30(33(41)40(39-32)28-15-12-25(13-16-28)34(42)43)21-26-20-27(35(36,37)38)14-19-31(26)44-29-17-10-24(11-18-29)9-8-23-6-4-3-5-7-23/h3-22H,1-2H3,(H,42,43)/b9-8+,30-21-