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

Systemtic Name: [2-(2,4-dimethylphenyl)-5-propan-2-yl-pyrazol-3-yl] 4-hexylbenzoate Openeye Name: [2-(2,4-dimethylphenyl)-5-isopropyl-pyrazol-3-yl] 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid [2-(2,4-dimethylphenyl)-5-propan-2-yl-3-pyrazolyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-5-propan-2-ylpyrazol-3-yl] 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid [2-(2,4-dimethylphenyl)-5-isopropyl-pyrazol-3-yl] ester Formula: C27H34N2O2 MolecularWeight: 418.57106

Click to see the large picture

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N2O2/c1-6-7-8-9-10-22-12-14-23(15-13-22)27(30)31-26-18-24(19(2)3)28-29(26)25-16-11-20(4)17-21(25)5/h11-19H,6-10H2,1-5H3