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

Systemtic Name: 4-[(4Z)-5-oxidanylidene-3-propan-2-yl-4-[[2-(4-propan-2-ylphenoxy)phenyl]methylidene]pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4Z)-3-isopropyl-4-[[2-(4-isopropylphenoxy)phenyl]methylene]-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4Z)-5-oxo-3-propan-2-yl-4-[[2-(4-propan-2-ylphenoxy)phenyl]methylidene]-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4Z)-5-oxo-3-propan-2-yl-4-[[2-(4-propan-2-ylphenoxy)phenyl]methylidene]pyrazol-1-yl]benzoic acid Traditional Name: 4-[(4Z)-3-isopropyl-4-[2-(4-isopropylphenoxy)benzylidene]-5-keto-2-pyrazolin-1-yl]benzoic acid Formula: C29H28N2O4 MolecularWeight: 468.54362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H28N2O4/c1-18(2)20-11-15-24(16-12-20)35-26-8-6-5-7-22(26)17-25-27(19(3)4)30-31(28(25)32)23-13-9-21(10-14-23)29(33)34/h5-19H,1-4H3,(H,33,34)/b25-17-