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

Systemtic Name: [2-(2,4-dimethylphenyl)-5-propyl-pyrazol-3-yl] benzoate Openeye Name: [2-(2,4-dimethylphenyl)-5-propyl-pyrazol-3-yl] benzoate CAS Name: benzoic acid [2-(2,4-dimethylphenyl)-5-propyl-3-pyrazolyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-5-propylpyrazol-3-yl] benzoate Traditional Name: benzoic acid [2-(2,4-dimethylphenyl)-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=C2)C3=C(C=C(C=C3)C)C

Isomeric SMILES

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

InChI

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