[2-(2-methylphenyl)-5-propan-2-yl-pyrazol-3-yl] 4-hexylbenzoate

Systemtic Name: [2-(2-methylphenyl)-5-propan-2-yl-pyrazol-3-yl] 4-hexylbenzoate Openeye Name: [5-isopropyl-2-(o-tolyl)pyrazol-3-yl] 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid [2-(2-methylphenyl)-5-propan-2-yl-3-pyrazolyl] ester IUPAC Name: [2-(2-methylphenyl)-5-propan-2-ylpyrazol-3-yl] 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid [5-isopropyl-2-(o-tolyl)pyrazol-3-yl] ester Formula: C26H32N2O2 MolecularWeight: 404.54448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=CC=C3C)C(C)C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=CC=C3C)C(C)C

InChI

InChI=1S/C26H32N2O2/c1-5-6-7-8-12-21-14-16-22(17-15-21)26(29)30-25-18-23(19(2)3)27-28(25)24-13-10-9-11-20(24)4/h9-11,13-19H,5-8,12H2,1-4H3