1-(3,4-dimethylphenyl)-3-(4-methoxycarbonylphenyl)-5-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(3,4-dimethylphenyl)-3-(4-methoxycarbonylphenyl)-5-phenyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3,4-dimethylphenyl)-3-(4-methoxycarbonylphenyl)-5-phenyl-pyrazole-4-carboxylic acid CAS Name: 1-(3,4-dimethylphenyl)-3-(4-methoxycarbonylphenyl)-5-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3,4-dimethylphenyl)-3-(4-methoxycarbonylphenyl)-5-phenylpyrazole-4-carboxylic acid Traditional Name: 3-(4-carbomethoxyphenyl)-1-(3,4-dimethylphenyl)-5-phenyl-pyrazole-4-carboxylic acid Formula: C26H22N2O4 MolecularWeight: 426.46388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C(=N2)C3=CC=C(C=C3)C(=O)OC)C(=O)O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(C(=N2)C3=CC=C(C=C3)C(=O)OC)C(=O)O)C4=CC=CC=C4)C

InChI

InChI=1S/C26H22N2O4/c1-16-9-14-21(15-17(16)2)28-24(19-7-5-4-6-8-19)22(25(29)30)23(27-28)18-10-12-20(13-11-18)26(31)32-3/h4-15H,1-3H3,(H,29,30)