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

Systemtic Name: 1-(3,4-dimethylphenyl)-3-(3-methoxyphenyl)-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3,4-dimethylphenyl)-3-(3-methoxyphenyl)-5-propyl-pyrazole-4-carboxylic acid CAS Name: 1-(3,4-dimethylphenyl)-3-(3-methoxyphenyl)-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3,4-dimethylphenyl)-3-(3-methoxyphenyl)-5-propylpyrazole-4-carboxylic acid Traditional Name: 1-(3,4-dimethylphenyl)-3-(3-methoxyphenyl)-5-propyl-pyrazole-4-carboxylic acid Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O3/c1-5-7-19-20(22(25)26)21(16-8-6-9-18(13-16)27-4)23-24(19)17-11-10-14(2)15(3)12-17/h6,8-13H,5,7H2,1-4H3,(H,25,26)