[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl] hexanoate

Systemtic Name: [5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl] hexanoate Openeye Name: [5-tert-butyl-2-(p-tolyl)pyrazol-3-yl] hexanoate CAS Name: hexanoic acid [5-tert-butyl-2-(4-methylphenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl] hexanoate Traditional Name: hexanoic acid [5-tert-butyl-2-(p-tolyl)pyrazol-3-yl] ester Formula: C20H28N2O2 MolecularWeight: 328.44852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=CC(=NN1C2=CC=C(C=C2)C)C(C)(C)C

Isomeric SMILES

CCCCCC(=O)OC1=CC(=NN1C2=CC=C(C=C2)C)C(C)(C)C

InChI

InChI=1S/C20H28N2O2/c1-6-7-8-9-19(23)24-18-14-17(20(3,4)5)21-22(18)16-12-10-15(2)11-13-16/h10-14H,6-9H2,1-5H3