[2-(2,4-dimethylphenyl)-5-ethyl-pyrazol-3-yl] 4-methylbenzoate

Systemtic Name: [2-(2,4-dimethylphenyl)-5-ethyl-pyrazol-3-yl] 4-methylbenzoate Openeye Name: [2-(2,4-dimethylphenyl)-5-ethyl-pyrazol-3-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-(2,4-dimethylphenyl)-5-ethyl-3-pyrazolyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-5-ethylpyrazol-3-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-(2,4-dimethylphenyl)-5-ethyl-pyrazol-3-yl] ester Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1)OC(=O)C2=CC=C(C=C2)C)C3=C(C=C(C=C3)C)C

Isomeric SMILES

CCC1=NN(C(=C1)OC(=O)C2=CC=C(C=C2)C)C3=C(C=C(C=C3)C)C

InChI

InChI=1S/C21H22N2O2/c1-5-18-13-20(25-21(24)17-9-6-14(2)7-10-17)23(22-18)19-11-8-15(3)12-16(19)4/h6-13H,5H2,1-4H3