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

Systemtic Name: [5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl] 4-hexylbenzoate Openeye Name: [5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl] 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid [5-tert-butyl-2-(4-chlorophenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl] 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid [5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl] ester Formula: C26H31ClN2O2 MolecularWeight: 438.98954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31ClN2O2/c1-5-6-7-8-9-19-10-12-20(13-11-19)25(30)31-24-18-23(26(2,3)4)28-29(24)22-16-14-21(27)15-17-22/h10-18H,5-9H2,1-4H3