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

Systemtic Name: [2-(2,3-dimethylphenyl)-5-propyl-pyrazol-3-yl] 3,3-dimethylbutanoate Openeye Name: [2-(2,3-dimethylphenyl)-5-propyl-pyrazol-3-yl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [2-(2,3-dimethylphenyl)-5-propyl-3-pyrazolyl] ester IUPAC Name: [2-(2,3-dimethylphenyl)-5-propylpyrazol-3-yl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [2-(2,3-dimethylphenyl)-5-propyl-pyrazol-3-yl] ester Formula: C20H28N2O2 MolecularWeight: 328.44852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O2/c1-7-9-16-12-18(24-19(23)13-20(4,5)6)22(21-16)17-11-8-10-14(2)15(17)3/h8,10-12H,7,9,13H2,1-6H3