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

Systemtic Name: [5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl] 4-hexylbenzoate Openeye Name: [5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl] 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid [5-tert-butyl-2-(2,4-dimethylphenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl] 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid [5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl] ester Formula: C28H36N2O2 MolecularWeight: 432.59764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36N2O2/c1-7-8-9-10-11-22-13-15-23(16-14-22)27(31)32-26-19-25(28(4,5)6)29-30(26)24-17-12-20(2)18-21(24)3/h12-19H,7-11H2,1-6H3