Marvin  08240711092D          

 28 30  0  0  0  0            999 V2000
    4.5312    0.5438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8168   -0.6938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5312   -1.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2457   -0.6938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2457    0.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8168    0.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1023    0.5438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3878    0.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6734    0.5438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9589   -0.6938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6734   -1.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3878   -0.6938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9589    0.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2444    0.5438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4700    0.1313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1845    0.5438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6134    0.5438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3279    1.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0424    0.5438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3279    0.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6134    1.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4823   -0.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8990    0.1313    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3156   -0.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0424    1.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7568    1.7813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4713    1.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1858    1.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  5  1  0  0  0  0
  6  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
 12  8  2  0  0  0  0
  9  8  1  0  0  0  0
  9 13  2  0  0  0  0
 13 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 23  1  0  0  0  0
 23 17  1  0  0  0  0
 20 17  2  0  0  0  0
 17 21  1  0  0  0  0
 18 25  1  0  0  0  0
 18 21  2  0  0  0  0
 25 19  2  0  0  0  0
 19 20  1  0  0  0  0
 23 22  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
> <ID>
CHEBI:39348

> <NAME>
etofenprox

> <DEFINITION>
An aromatic ether that is the 3-phenoxybenzyl ether of 2-(4-ethoxyphenyl)-2-methylpropan-1-ol.

> <STAR>
3

> <SYNONYM>
Ethophenprox; Ethofenprox

> <IUPAC_NAME>
1-{[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl}-3-phenoxybenzene

> <INN>
etofenprox

> <FORMULA>
C25H28O3

> <MASS>
376.48802

> <MONOISOTOPIC_MASS>
376.20384

> <CHARGE>
0

> <SMILES>
CCOc1ccc(cc1)C(C)(C)COCc1cccc(Oc2ccccc2)c1

> <INCHI>
InChI=1S/C25H28O3/c1-4-27-22-15-13-21(14-16-22)25(2,3)19-26-18-20-9-8-12-24(17-20)28-23-10-6-5-7-11-23/h5-17H,4,18-19H2,1-3H3

> <INCHIKEY>
YREQHYQNNWYQCJ-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
7047812

> <CAS_REGISTRY_NUMBER>
80844-07-1

> <REAXYS_REGISTRY_NUMBER>
7047812

> <CHEMIDPLUS>
80844-07-1

> <KEGG_COMPOUND_ACCESSION>
C18410

> <KEGG_DRUG_ACCESSION>
D09202

> <WIKIPEDIA_ACCESSION>
Etofenprox

> <PUBMED_CITATION>
10635564; 11272920; 11857772; 9648233

$$$$