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

Systemtic Name: 3-(4-methoxycarbonylphenyl)-1-(3-methylphenyl)-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 3-(4-methoxycarbonylphenyl)-1-(m-tolyl)-5-propyl-pyrazole-4-carboxylic acid CAS Name: 3-(4-methoxycarbonylphenyl)-1-(3-methylphenyl)-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(4-methoxycarbonylphenyl)-1-(3-methylphenyl)-5-propylpyrazole-4-carboxylic acid Traditional Name: 3-(4-carbomethoxyphenyl)-1-(m-tolyl)-5-propyl-pyrazole-4-carboxylic acid Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4/c1-4-6-18-19(21(25)26)20(15-9-11-16(12-10-15)22(27)28-3)23-24(18)17-8-5-7-14(2)13-17/h5,7-13H,4,6H2,1-3H3,(H,25,26)