[2-(2,4-dimethylphenyl)-5-(methoxymethyl)pyrazol-3-yl] 2-ethylhexanoate

Systemtic Name: [2-(2,4-dimethylphenyl)-5-(methoxymethyl)pyrazol-3-yl] 2-ethylhexanoate Openeye Name: [2-(2,4-dimethylphenyl)-5-(methoxymethyl)pyrazol-3-yl] 2-ethylhexanoate CAS Name: 2-ethylhexanoic acid [2-(2,4-dimethylphenyl)-5-(methoxymethyl)-3-pyrazolyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-5-(methoxymethyl)pyrazol-3-yl] 2-ethylhexanoate Traditional Name: 2-ethylhexanoic acid [2-(2,4-dimethylphenyl)-5-(methoxymethyl)pyrazol-3-yl] ester Formula: C21H30N2O3 MolecularWeight: 358.4745

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)OC1=CC(=NN1C2=C(C=C(C=C2)C)C)COC

Isomeric SMILES

CCCCC(CC)C(=O)OC1=CC(=NN1C2=C(C=C(C=C2)C)C)COC

InChI

InChI=1S/C21H30N2O3/c1-6-8-9-17(7-2)21(24)26-20-13-18(14-25-5)22-23(20)19-11-10-15(3)12-16(19)4/h10-13,17H,6-9,14H2,1-5H3