[2-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl] 3,5,5-trimethylhexanoate

Systemtic Name: [2-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl] 3,5,5-trimethylhexanoate Openeye Name: [2-(p-tolyl)-5-(trifluoromethyl)pyrazol-3-yl] 3,5,5-trimethylhexanoate CAS Name: 3,5,5-trimethylhexanoic acid [2-(4-methylphenyl)-5-(trifluoromethyl)-3-pyrazolyl] ester IUPAC Name: [2-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl] 3,5,5-trimethylhexanoate Traditional Name: 3,5,5-trimethylhexanoic acid [2-(p-tolyl)-5-(trifluoromethyl)pyrazol-3-yl] ester Formula: C20H25F3N2O2 MolecularWeight: 382.41991

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)OC(=O)CC(C)CC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)OC(=O)CC(C)CC(C)(C)C

InChI

InChI=1S/C20H25F3N2O2/c1-13-6-8-15(9-7-13)25-17(11-16(24-25)20(21,22)23)27-18(26)10-14(2)12-19(3,4)5/h6-9,11,14H,10,12H2,1-5H3