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

Systemtic Name: [5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl] 2-ethylhexanoate Openeye Name: [5-tert-butyl-2-(m-tolyl)pyrazol-3-yl] 2-ethylhexanoate CAS Name: 2-ethylhexanoic acid [5-tert-butyl-2-(3-methylphenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl] 2-ethylhexanoate Traditional Name: 2-ethylhexanoic acid [5-tert-butyl-2-(m-tolyl)pyrazol-3-yl] ester Formula: C22H32N2O2 MolecularWeight: 356.50168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O2/c1-7-9-12-17(8-2)21(25)26-20-15-19(22(4,5)6)23-24(20)18-13-10-11-16(3)14-18/h10-11,13-15,17H,7-9,12H2,1-6H3