[5-tert-butyl-2-(3-fluorophenyl)pyrazol-3-yl] 4-hexylbenzoate

Systemtic Name: [5-tert-butyl-2-(3-fluorophenyl)pyrazol-3-yl] 4-hexylbenzoate Openeye Name: [5-tert-butyl-2-(3-fluorophenyl)pyrazol-3-yl] 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid [5-tert-butyl-2-(3-fluorophenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(3-fluorophenyl)pyrazol-3-yl] 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid [5-tert-butyl-2-(3-fluorophenyl)pyrazol-3-yl] ester Formula: C26H31FN2O2 MolecularWeight: 422.534943

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC(=CC=C3)F)C(C)(C)C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC(=CC=C3)F)C(C)(C)C

InChI

InChI=1S/C26H31FN2O2/c1-5-6-7-8-10-19-13-15-20(16-14-19)25(30)31-24-18-23(26(2,3)4)28-29(24)22-12-9-11-21(27)17-22/h9,11-18H,5-8,10H2,1-4H3