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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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