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

Systemtic Name: 4-[(4Z)-5-oxidanylidene-4-[(2-phenoxyphenyl)methylidene]-3-propan-2-yl-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4Z)-3-isopropyl-5-oxo-4-[(2-phenoxyphenyl)methylene]pyrazol-1-yl]benzoic acid CAS Name: 4-[(4Z)-5-oxo-4-[(2-phenoxyphenyl)methylidene]-3-propan-2-yl-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4Z)-5-oxo-4-[(2-phenoxyphenyl)methylidene]-3-propan-2-ylpyrazol-1-yl]benzoic acid Traditional Name: 4-[(4Z)-3-isopropyl-5-keto-4-(2-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=CC=C2OC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC(C)C\1=NN(C(=O)/C1=C\C2=CC=CC=C2OC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C26H22N2O4/c1-17(2)24-22(25(29)28(27-24)20-14-12-18(13-15-20)26(30)31)16-19-8-6-7-11-23(19)32-21-9-4-3-5-10-21/h3-17H,1-2H3,(H,30,31)/b22-16-