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

Systemtic Name: 3-[(4Z)-4-[[2-(4-methylphenoxy)phenyl]methylidene]-5-oxidanylidene-3-propan-2-yl-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4Z)-3-isopropyl-4-[[2-(4-methylphenoxy)phenyl]methylene]-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4Z)-4-[[2-(4-methylphenoxy)phenyl]methylidene]-5-oxo-3-propan-2-yl-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4Z)-4-[[2-(4-methylphenoxy)phenyl]methylidene]-5-oxo-3-propan-2-ylpyrazol-1-yl]benzoic acid Traditional Name: 3-[(4Z)-3-isopropyl-5-keto-4-[2-(4-methylphenoxy)benzylidene]-2-pyrazolin-1-yl]benzoic acid Formula: C27H24N2O4 MolecularWeight: 440.49046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC=CC=C2C=C3C(=NN(C3=O)C4=CC=CC(=C4)C(=O)O)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC=CC=C2/C=C\3/C(=NN(C3=O)C4=CC=CC(=C4)C(=O)O)C(C)C

InChI

InChI=1S/C27H24N2O4/c1-17(2)25-23(26(30)29(28-25)21-9-6-8-20(15-21)27(31)32)16-19-7-4-5-10-24(19)33-22-13-11-18(3)12-14-22/h4-17H,1-3H3,(H,31,32)/b23-16-