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

Systemtic Name: [2-(2-methylphenyl)-5-propyl-pyrazol-3-yl] 4-methylbenzoate Openeye Name: [2-(o-tolyl)-5-propyl-pyrazol-3-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-(2-methylphenyl)-5-propyl-3-pyrazolyl] ester IUPAC Name: [2-(2-methylphenyl)-5-propylpyrazol-3-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-(o-tolyl)-5-propyl-pyrazol-3-yl] ester Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)OC(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3C

Isomeric SMILES

CCCC1=NN(C(=C1)OC(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3C

InChI

InChI=1S/C21H22N2O2/c1-4-7-18-14-20(23(22-18)19-9-6-5-8-16(19)3)25-21(24)17-12-10-15(2)11-13-17/h5-6,8-14H,4,7H2,1-3H3