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

Systemtic Name: [2-(2-methylphenyl)-5-propyl-pyrazol-3-yl] 2-ethylhexanoate Openeye Name: [2-(o-tolyl)-5-propyl-pyrazol-3-yl] 2-ethylhexanoate CAS Name: 2-ethylhexanoic acid [2-(2-methylphenyl)-5-propyl-3-pyrazolyl] ester IUPAC Name: [2-(2-methylphenyl)-5-propylpyrazol-3-yl] 2-ethylhexanoate Traditional Name: 2-ethylhexanoic acid [2-(o-tolyl)-5-propyl-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)CCC

Isomeric SMILES

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

InChI

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