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

Systemtic Name: [2-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl] 4-butylbenzoate Openeye Name: [2-(p-tolyl)-5-(trifluoromethyl)pyrazol-3-yl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [2-(4-methylphenyl)-5-(trifluoromethyl)-3-pyrazolyl] ester IUPAC Name: [2-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [2-(p-tolyl)-5-(trifluoromethyl)pyrazol-3-yl] ester Formula: C22H21F3N2O2 MolecularWeight: 402.40955

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=C(C=C3)C)C(F)(F)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=C(C=C3)C)C(F)(F)F

InChI

InChI=1S/C22H21F3N2O2/c1-3-4-5-16-8-10-17(11-9-16)21(28)29-20-14-19(22(23,24)25)26-27(20)18-12-6-15(2)7-13-18/h6-14H,3-5H2,1-2H3