[5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl] 3-(trifluoromethyl)benzoate

Systemtic Name: [5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl] 3-(trifluoromethyl)benzoate Openeye Name: [5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl] 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)benzoic acid [5-tert-butyl-2-(2,4-dimethylphenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl] 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid [5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl] ester Formula: C23H23F3N2O2 MolecularWeight: 416.43613

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CC(=N2)C(C)(C)C)OC(=O)C3=CC(=CC=C3)C(F)(F)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC(=N2)C(C)(C)C)OC(=O)C3=CC(=CC=C3)C(F)(F)F)C

InChI

InChI=1S/C23H23F3N2O2/c1-14-9-10-18(15(2)11-14)28-20(13-19(27-28)22(3,4)5)30-21(29)16-7-6-8-17(12-16)23(24,25)26/h6-13H,1-5H3