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

Systemtic Name: 1-(3,4-dimethylphenyl)-3-(4-methoxycarbonylphenyl)-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3,4-dimethylphenyl)-3-(4-methoxycarbonylphenyl)-5-propyl-pyrazole-4-carboxylic acid CAS Name: 1-(3,4-dimethylphenyl)-3-(4-methoxycarbonylphenyl)-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3,4-dimethylphenyl)-3-(4-methoxycarbonylphenyl)-5-propylpyrazole-4-carboxylic acid Traditional Name: 3-(4-carbomethoxyphenyl)-1-(3,4-dimethylphenyl)-5-propyl-pyrazole-4-carboxylic acid Formula: C23H24N2O4 MolecularWeight: 392.44766

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C2=CC(=C(C=C2)C)C)C3=CC=C(C=C3)C(=O)OC)C(=O)O

Isomeric SMILES

CCCC1=C(C(=NN1C2=CC(=C(C=C2)C)C)C3=CC=C(C=C3)C(=O)OC)C(=O)O

InChI

InChI=1S/C23H24N2O4/c1-5-6-19-20(22(26)27)21(16-8-10-17(11-9-16)23(28)29-4)24-25(19)18-12-7-14(2)15(3)13-18/h7-13H,5-6H2,1-4H3,(H,26,27)