[2-phenyl-5-(trifluoromethyl)pyrazol-3-yl] 2-ethylhexanoate

Systemtic Name: [2-phenyl-5-(trifluoromethyl)pyrazol-3-yl] 2-ethylhexanoate Openeye Name: [2-phenyl-5-(trifluoromethyl)pyrazol-3-yl] 2-ethylhexanoate CAS Name: 2-ethylhexanoic acid [2-phenyl-5-(trifluoromethyl)-3-pyrazolyl] ester IUPAC Name: [2-phenyl-5-(trifluoromethyl)pyrazol-3-yl] 2-ethylhexanoate Traditional Name: 2-ethylhexanoic acid [2-phenyl-5-(trifluoromethyl)pyrazol-3-yl] ester Formula: C18H21F3N2O2 MolecularWeight: 354.36675

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)OC1=CC(=NN1C2=CC=CC=C2)C(F)(F)F

Isomeric SMILES

CCCCC(CC)C(=O)OC1=CC(=NN1C2=CC=CC=C2)C(F)(F)F

InChI

InChI=1S/C18H21F3N2O2/c1-3-5-9-13(4-2)17(24)25-16-12-15(18(19,20)21)22-23(16)14-10-7-6-8-11-14/h6-8,10-13H,3-5,9H2,1-2H3