[2-phenyl-5-(trifluoromethyl)pyrazol-3-yl] 4-tert-butylbenzoate

Systemtic Name: [2-phenyl-5-(trifluoromethyl)pyrazol-3-yl] 4-tert-butylbenzoate Openeye Name: [2-phenyl-5-(trifluoromethyl)pyrazol-3-yl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [2-phenyl-5-(trifluoromethyl)-3-pyrazolyl] ester IUPAC Name: [2-phenyl-5-(trifluoromethyl)pyrazol-3-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-phenyl-5-(trifluoromethyl)pyrazol-3-yl] ester Formula: C21H19F3N2O2 MolecularWeight: 388.38297

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H19F3N2O2/c1-20(2,3)15-11-9-14(10-12-15)19(27)28-18-13-17(21(22,23)24)25-26(18)16-7-5-4-6-8-16/h4-13H,1-3H3