Marvin  08210709272D          

 24 26  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  2  0  0  0  0
  2 24  1  0  0  0  0
  3  1  1  0  0  0  0
 13  3  1  0  0  0  0
  5  4  1  0  0  0  0
 21  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
 24  6  2  0  0  0  0
  9  7  1  0  0  0  0
 22  7  2  0  0  0  0
  8 21  1  0  0  0  0
 10  9  2  0  0  0  0
 12 10  1  0  0  0  0
 11 22  1  0  0  0  0
 12 11  2  0  0  0  0
 14 13  1  0  0  0  0
 23 13  1  0  0  0  0
 15 14  1  0  0  0  0
 20 15  2  0  0  0  0
 16 15  1  0  0  0  0
 18 16  2  0  0  0  0
 17 20  1  0  0  0  0
 19 17  2  0  0  0  0
 19 18  1  0  0  0  0
M  END
> <ID>
CHEBI:39260

> <NAME>
pyriproxyfen

> <DEFINITION>
An aromatic ether that consists of propylene glycol having a 2-pyridyl group at the O-1 position and a 4-phenoxyphenyl group at the O-3 position.

> <STAR>
3

> <SYNONYM>
Pyriproxyfen; 4-phenoxyphenyl (RS)-2-(2-pyridyloxy)propyl ether

> <IUPAC_NAME>
2-[1-methyl-2-(4-phenoxyphenoxy)ethoxy]pyridine

> <FORMULA>
C20H19NO3

> <MASS>
321.36980

> <MONOISOTOPIC_MASS>
321.13649

> <CHARGE>
0

> <SMILES>
CC(COc1ccc(Oc2ccccc2)cc1)Oc1ccccn1

> <INCHI>
InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3

> <INCHIKEY>
NHDHVHZZCFYRSB-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
95737-68-1

> <REAXYS_REGISTRY_NUMBER>
6932868

> <CHEMIDPLUS>
95737-68-1

> <KEGG_COMPOUND_ACCESSION>
C18605

> <KEGG_DRUG_ACCESSION>
D08455

> <WIKIPEDIA_ACCESSION>
Pyriproxyfen

> <PUBMED_CITATION>
11466738; 11754538; 15756702; 15969518; 17437255; 17569108; 17582630; 18485359; 21036621

$$$$