[2-(3-fluorophenyl)-5-methyl-pyrazol-3-yl] 3,5,5-trimethylhexanoate

Systemtic Name: [2-(3-fluorophenyl)-5-methyl-pyrazol-3-yl] 3,5,5-trimethylhexanoate Openeye Name: [2-(3-fluorophenyl)-5-methyl-pyrazol-3-yl] 3,5,5-trimethylhexanoate CAS Name: 3,5,5-trimethylhexanoic acid [2-(3-fluorophenyl)-5-methyl-3-pyrazolyl] ester IUPAC Name: [2-(3-fluorophenyl)-5-methylpyrazol-3-yl] 3,5,5-trimethylhexanoate Traditional Name: 3,5,5-trimethylhexanoic acid [2-(3-fluorophenyl)-5-methyl-pyrazol-3-yl] ester Formula: C19H25FN2O2 MolecularWeight: 332.412403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)OC(=O)CC(C)CC(C)(C)C)C2=CC(=CC=C2)F

Isomeric SMILES

CC1=NN(C(=C1)OC(=O)CC(C)CC(C)(C)C)C2=CC(=CC=C2)F

InChI

InChI=1S/C19H25FN2O2/c1-13(12-19(3,4)5)9-18(23)24-17-10-14(2)21-22(17)16-8-6-7-15(20)11-16/h6-8,10-11,13H,9,12H2,1-5H3