Mrv0541 02131414332D          

 16 17  0  0  0  0            999 V2000
    0.9923   -0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2791    0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8059   -1.8399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2757   -2.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7068   -1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1357   -1.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8501   -2.3957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8501   -0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9935   -1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2791   -0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1357   -1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5646   -1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5646   -1.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9935   -1.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2791   -2.3957    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4213   -0.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  7  6  2  0  0  0  0
 10  2  1  0  0  0  0
 10  9  2  0  0  0  0
 11  6  1  0  0  0  0
 11  8  2  0  0  0  0
 12  8  1  0  0  0  0
 12 10  1  0  0  0  0
 13  7  1  0  0  0  0
 13 12  2  0  0  0  0
 14  3  1  0  0  0  0
 14  4  1  0  0  0  0
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16  5  1  0  0  0  0
 16 11  1  0  0  0  0
M  END
> <ID>
CHEBI:77323

> <NAME>
ethoxyquin

> <DEFINITION>
A quinoline that is 1,2-dihydroquinoline bearing three methyl substituents at position 2, 2 and 4 as well as an ethoxy substituent at position 6.

> <STAR>
3

> <SYNONYM>
ethyl 2,2,4-trimethyl-1,2-dihydro-6-quinolyl ether; Ethyl 2,2,4-trimethyl-1,2-dihydro-6-quinolinyl ether; Ethoxyquine; E324; E 324; 6-Ethoxy-1,2-dihydro-2,2,4-trimethylquinoline; 2,2,4-Trimethyl-6-ethoxy-1,2-dihydroquinoline; 1,2-Dihydro-6-ethoxy-2,2,4-trimethylquinoline; 1,2-dihydro-2,2,4-trimethyl-6-quinolyl ethyl ether; 1,2-Dihydro-2,2,4-trimethyl-6-ethoxyquinoline

> <IUPAC_NAME>
6-ethoxy-2,2,4-trimethyl-1,2-dihydroquinoline

> <FORMULA>
C14H19NO

> <MASS>
217.30680

> <MONOISOTOPIC_MASS>
217.14666

> <CHARGE>
0

> <SMILES>
CCOc1ccc2NC(C)(C)C=C(C)c2c1

> <INCHI>
InChI=1S/C14H19NO/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-9,15H,5H2,1-4H3

> <INCHIKEY>
DECIPOUIJURFOJ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
91-53-2

> <REAXYS_REGISTRY_NUMBER>
158223

> <CHEMIDPLUS>
91-53-2

> <LINCS_ACCESSION>
LSM-5670

> <NIST_CHEMISTRY_WEBBOOK>
91-53-2

> <PESTICIDES_ACCESSION>
ethoxyquin

> <WIKIPEDIA_ACCESSION>
Ethoxyquin

> <PUBMED_CITATION>
16199076; 20093172; 20334189; 21902931; 23063794; 23955554; 24127661; 24161146; 27350330; 32760978; 34607038; 4927196; 674008; 6769055

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