[2-(4-methylphenyl)-5-propyl-pyrazol-3-yl] benzoate

Systemtic Name: [2-(4-methylphenyl)-5-propyl-pyrazol-3-yl] benzoate Openeye Name: [5-propyl-2-(p-tolyl)pyrazol-3-yl] benzoate CAS Name: benzoic acid [2-(4-methylphenyl)-5-propyl-3-pyrazolyl] ester IUPAC Name: [2-(4-methylphenyl)-5-propylpyrazol-3-yl] benzoate Traditional Name: benzoic acid [5-propyl-2-(p-tolyl)pyrazol-3-yl] ester Formula: C20H20N2O2 MolecularWeight: 320.385

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)OC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)C

Isomeric SMILES

CCCC1=NN(C(=C1)OC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H20N2O2/c1-3-7-17-14-19(24-20(23)16-8-5-4-6-9-16)22(21-17)18-12-10-15(2)11-13-18/h4-6,8-14H,3,7H2,1-2H3