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

Systemtic Name: [2-(2-methylphenyl)-5-propyl-pyrazol-3-yl] 2-methylbenzoate Openeye Name: [2-(o-tolyl)-5-propyl-pyrazol-3-yl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [2-(2-methylphenyl)-5-propyl-3-pyrazolyl] ester IUPAC Name: [2-(2-methylphenyl)-5-propylpyrazol-3-yl] 2-methylbenzoate Traditional Name: 2-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=CC=C2C)C3=CC=CC=C3C

Isomeric SMILES

CCCC1=NN(C(=C1)OC(=O)C2=CC=CC=C2C)C3=CC=CC=C3C

InChI

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