4-[bis[5-(4-methoxyphenyl)-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl]methyl]benzoic acid

Systemtic Name: 4-[bis[5-(4-methoxyphenyl)-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl]methyl]benzoic acid Openeye Name: 4-[bis[5-(4-methoxyphenyl)-3-oxo-2-phenyl-1H-pyrazol-4-yl]methyl]benzoic acid CAS Name: 4-[bis[5-(4-methoxyphenyl)-3-oxo-2-phenyl-1H-pyrazol-4-yl]methyl]benzoic acid IUPAC Name: 4-[bis[5-(4-methoxyphenyl)-3-oxo-2-phenyl-1H-pyrazol-4-yl]methyl]benzoic acid Traditional Name: 4-[bis[5-keto-3-(4-methoxyphenyl)-1-phenyl-3-pyrazolin-4-yl]methyl]benzoic acid Formula: C40H32N4O6 MolecularWeight: 664.70528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)N(N2)C3=CC=CC=C3)C(C4=CC=C(C=C4)C(=O)O)C5=C(NN(C5=O)C6=CC=CC=C6)C7=CC=C(C=C7)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)N(N2)C3=CC=CC=C3)C(C4=CC=C(C=C4)C(=O)O)C5=C(NN(C5=O)C6=CC=CC=C6)C7=CC=C(C=C7)OC

InChI

InChI=1S/C40H32N4O6/c1-49-31-21-17-26(18-22-31)36-34(38(45)43(41-36)29-9-5-3-6-10-29)33(25-13-15-28(16-14-25)40(47)48)35-37(27-19-23-32(50-2)24-20-27)42-44(39(35)46)30-11-7-4-8-12-30/h3-24,33,41-42H,1-2H3,(H,47,48)