[2-(3-chlorophenyl)-5-propan-2-yl-pyrazol-3-yl] octanoate

Systemtic Name: [2-(3-chlorophenyl)-5-propan-2-yl-pyrazol-3-yl] octanoate Openeye Name: [2-(3-chlorophenyl)-5-isopropyl-pyrazol-3-yl] octanoate CAS Name: octanoic acid [2-(3-chlorophenyl)-5-propan-2-yl-3-pyrazolyl] ester IUPAC Name: [2-(3-chlorophenyl)-5-propan-2-ylpyrazol-3-yl] octanoate Traditional Name: caprylic acid [2-(3-chlorophenyl)-5-isopropyl-pyrazol-3-yl] ester Formula: C20H27ClN2O2 MolecularWeight: 362.89358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC(=NN1C2=CC(=CC=C2)Cl)C(C)C

Isomeric SMILES

CCCCCCCC(=O)OC1=CC(=NN1C2=CC(=CC=C2)Cl)C(C)C

InChI

InChI=1S/C20H27ClN2O2/c1-4-5-6-7-8-12-20(24)25-19-14-18(15(2)3)22-23(19)17-11-9-10-16(21)13-17/h9-11,13-15H,4-8,12H2,1-3H3