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

Systemtic Name: 3-(3-methoxyphenyl)-1-(3-methylphenyl)-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 3-(3-methoxyphenyl)-1-(m-tolyl)-5-propyl-pyrazole-4-carboxylic acid CAS Name: 3-(3-methoxyphenyl)-1-(3-methylphenyl)-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(3-methoxyphenyl)-1-(3-methylphenyl)-5-propylpyrazole-4-carboxylic acid Traditional Name: 3-(3-methoxyphenyl)-1-(m-tolyl)-5-propyl-pyrazole-4-carboxylic acid Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3/c1-4-7-18-19(21(24)25)20(15-9-6-11-17(13-15)26-3)22-23(18)16-10-5-8-14(2)12-16/h5-6,8-13H,4,7H2,1-3H3,(H,24,25)