[2-(2,3-dimethylphenyl)-5-ethyl-pyrazol-3-yl] 2-ethylhexanoate

Systemtic Name: [2-(2,3-dimethylphenyl)-5-ethyl-pyrazol-3-yl] 2-ethylhexanoate Openeye Name: [2-(2,3-dimethylphenyl)-5-ethyl-pyrazol-3-yl] 2-ethylhexanoate CAS Name: 2-ethylhexanoic acid [2-(2,3-dimethylphenyl)-5-ethyl-3-pyrazolyl] ester IUPAC Name: [2-(2,3-dimethylphenyl)-5-ethylpyrazol-3-yl] 2-ethylhexanoate Traditional Name: 2-ethylhexanoic acid [2-(2,3-dimethylphenyl)-5-ethyl-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)CC

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O2/c1-6-9-12-17(7-2)21(24)25-20-14-18(8-3)22-23(20)19-13-10-11-15(4)16(19)5/h10-11,13-14,17H,6-9,12H2,1-5H3