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

Systemtic Name: 4-[(4Z)-5-oxidanylidene-3-propan-2-yl-4-[[4-(4-propan-2-ylphenoxy)phenyl]methylidene]pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4Z)-3-isopropyl-4-[[4-(4-isopropylphenoxy)phenyl]methylene]-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4Z)-5-oxo-3-propan-2-yl-4-[[4-(4-propan-2-ylphenoxy)phenyl]methylidene]-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4Z)-5-oxo-3-propan-2-yl-4-[[4-(4-propan-2-ylphenoxy)phenyl]methylidene]pyrazol-1-yl]benzoic acid Traditional Name: 4-[(4Z)-3-isopropyl-4-[4-(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=C(C=C2)C=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=C(C=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)21-9-15-25(16-10-21)35-24-13-5-20(6-14-24)17-26-27(19(3)4)30-31(28(26)32)23-11-7-22(8-12-23)29(33)34/h5-19H,1-4H3,(H,33,34)/b26-17-