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

Systemtic Name: 1-(3,4-dimethylphenyl)-5-ethyl-3-(4-methoxycarbonylphenyl)pyrazole-4-carboxylic acid Openeye Name: 1-(3,4-dimethylphenyl)-5-ethyl-3-(4-methoxycarbonylphenyl)pyrazole-4-carboxylic acid CAS Name: 1-(3,4-dimethylphenyl)-5-ethyl-3-(4-methoxycarbonylphenyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(3,4-dimethylphenyl)-5-ethyl-3-(4-methoxycarbonylphenyl)pyrazole-4-carboxylic acid Traditional Name: 3-(4-carbomethoxyphenyl)-1-(3,4-dimethylphenyl)-5-ethyl-pyrazole-4-carboxylic acid Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2=CC(=C(C=C2)C)C)C3=CC=C(C=C3)C(=O)OC)C(=O)O

Isomeric SMILES

CCC1=C(C(=NN1C2=CC(=C(C=C2)C)C)C3=CC=C(C=C3)C(=O)OC)C(=O)O

InChI

InChI=1S/C22H22N2O4/c1-5-18-19(21(25)26)20(15-7-9-16(10-8-15)22(27)28-4)23-24(18)17-11-6-13(2)14(3)12-17/h6-12H,5H2,1-4H3,(H,25,26)