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

Systemtic Name: [2-(2-methylphenyl)-5-propan-2-yl-pyrazol-3-yl] 2-ethylhexanoate Openeye Name: [5-isopropyl-2-(o-tolyl)pyrazol-3-yl] 2-ethylhexanoate CAS Name: 2-ethylhexanoic acid [2-(2-methylphenyl)-5-propan-2-yl-3-pyrazolyl] ester IUPAC Name: [2-(2-methylphenyl)-5-propan-2-ylpyrazol-3-yl] 2-ethylhexanoate Traditional Name: 2-ethylhexanoic acid [5-isopropyl-2-(o-tolyl)pyrazol-3-yl] ester Formula: C21H30N2O2 MolecularWeight: 342.4751

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)OC1=CC(=NN1C2=CC=CC=C2C)C(C)C

Isomeric SMILES

CCCCC(CC)C(=O)OC1=CC(=NN1C2=CC=CC=C2C)C(C)C

InChI

InChI=1S/C21H30N2O2/c1-6-8-12-17(7-2)21(24)25-20-14-18(15(3)4)22-23(20)19-13-10-9-11-16(19)5/h9-11,13-15,17H,6-8,12H2,1-5H3