3-[(4Z)-5-oxidanylidene-4-[(4-phenoxyphenyl)methylidene]-3-propan-2-yl-pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[(4Z)-5-oxidanylidene-4-[(4-phenoxyphenyl)methylidene]-3-propan-2-yl-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4Z)-3-isopropyl-5-oxo-4-[(4-phenoxyphenyl)methylene]pyrazol-1-yl]benzoic acid CAS Name: 3-[(4Z)-5-oxo-4-[(4-phenoxyphenyl)methylidene]-3-propan-2-yl-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4Z)-5-oxo-4-[(4-phenoxyphenyl)methylidene]-3-propan-2-ylpyrazol-1-yl]benzoic acid Traditional Name: 3-[(4Z)-3-isopropyl-5-keto-4-(4-phenoxybenzylidene)-2-pyrazolin-1-yl]benzoic acid Formula: C26H22N2O4 MolecularWeight: 426.46388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22N2O4/c1-17(2)24-23(25(29)28(27-24)20-8-6-7-19(16-20)26(30)31)15-18-11-13-22(14-12-18)32-21-9-4-3-5-10-21/h3-17H,1-2H3,(H,30,31)/b23-15-