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

Systemtic Name: [2-(2,3-dimethylphenyl)-5-ethyl-pyrazol-3-yl] 3,5,5-trimethylhexanoate Openeye Name: [2-(2,3-dimethylphenyl)-5-ethyl-pyrazol-3-yl] 3,5,5-trimethylhexanoate CAS Name: 3,5,5-trimethylhexanoic acid [2-(2,3-dimethylphenyl)-5-ethyl-3-pyrazolyl] ester IUPAC Name: [2-(2,3-dimethylphenyl)-5-ethylpyrazol-3-yl] 3,5,5-trimethylhexanoate Traditional Name: 3,5,5-trimethylhexanoic acid [2-(2,3-dimethylphenyl)-5-ethyl-pyrazol-3-yl] ester Formula: C22H32N2O2 MolecularWeight: 356.50168

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1)OC(=O)CC(C)CC(C)(C)C)C2=CC=CC(=C2C)C

Isomeric SMILES

CCC1=NN(C(=C1)OC(=O)CC(C)CC(C)(C)C)C2=CC=CC(=C2C)C

InChI

InChI=1S/C22H32N2O2/c1-8-18-13-20(26-21(25)12-15(2)14-22(5,6)7)24(23-18)19-11-9-10-16(3)17(19)4/h9-11,13,15H,8,12,14H2,1-7H3