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

Systemtic Name: [2-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl] 2-phenylbutanoate Openeye Name: [2-(p-tolyl)-5-(trifluoromethyl)pyrazol-3-yl] 2-phenylbutanoate CAS Name: 2-phenylbutanoic acid [2-(4-methylphenyl)-5-(trifluoromethyl)-3-pyrazolyl] ester IUPAC Name: [2-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl] 2-phenylbutanoate Traditional Name: 2-phenylbutyric acid [2-(p-tolyl)-5-(trifluoromethyl)pyrazol-3-yl] ester Formula: C21H19F3N2O2 MolecularWeight: 388.38297

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19F3N2O2/c1-3-17(15-7-5-4-6-8-15)20(27)28-19-13-18(21(22,23)24)25-26(19)16-11-9-14(2)10-12-16/h4-13,17H,3H2,1-2H3