
 CHEMBL66241

 36 38  0  0  0  0  0  0  0  0999 V2000
    0.7638   -0.0368    0.8362 C   0  0  0  0  0
    1.4230    0.2772   -0.4381 N   0  0  0  0  0
    0.4936    1.0526   -1.2653 C   0  0  0  0  0
    2.7282    0.9734   -0.2309 C   0  0  0  0  0
    3.4621    1.2781   -1.5757 C   0  0  0  0  0
    4.2105    0.0935   -2.1837 C   0  0  0  0  0
    3.6414   -0.6313   -3.4011 C   0  0  0  0  0
    4.2199   -1.9801   -3.4008 O   0  0  0  0  0
    4.3662   -2.2347   -2.0586 C   0  0  0  0  0
    4.2708   -1.0898   -1.3004 C   0  0  0  0  0
    4.1306   -1.1111    0.0733 C   0  0  0  0  0
    4.2746   -2.3418    0.7209 C   0  0  0  0  0
    4.4832   -3.5082   -0.0532 C   0  0  0  0  0
    4.5046   -3.4616   -1.4592 C   0  0  0  0  0
    4.1734   -2.3122    2.0860 O   0  0  0  0  0
    4.3215   -3.5480    2.7723 C   0  0  0  0  0
    3.7317    0.1948    0.7068 C   0  0  0  0  0
    1.3270   -0.7784    1.4109 H   0  0  0  0  0
   -0.2184   -0.4937    0.6651 H   0  0  0  0  0
    0.6196    0.8567    1.4535 H   0  0  0  0  0
   -0.4837    0.5584   -1.3222 H   0  0  0  0  0
    0.8378    1.1175   -2.3011 H   0  0  0  0  0
    0.3401    2.0650   -0.8759 H   0  0  0  0  0
    2.5227    1.9383    0.2544 H   0  0  0  0  0
    4.2171    2.0426   -1.3381 H   0  0  0  0  0
    2.8259    1.7656   -2.3199 H   0  0  0  0  0
    5.2402    0.4016   -2.4124 H   0  0  0  0  0
    3.9185   -0.1326   -4.3356 H   0  0  0  0  0
    2.5480   -0.7293   -3.3699 H   0  0  0  0  0
    4.5886   -4.4827    0.4125 H   0  0  0  0  0
    4.5948   -4.3650   -2.0506 H   0  0  0  0  0
    4.2246   -3.3484    3.8442 H   0  0  0  0  0
    5.3143   -3.9777    2.6034 H   0  0  0  0  0
    3.5311   -4.2523    2.4936 H   0  0  0  0  0
    3.2974    0.0479    1.7003 H   0  0  0  0  0
    4.6356    0.8005    0.8532 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 21  1  0  0  0
  3 22  1  0  0  0
  3 23  1  0  0  0
  4  5  1  0  0  0
  4 17  1  0  0  0
  4 24  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  5 26  1  0  0  0
  6  7  1  0  0  0
  6 10  1  0  0  0
  6 27  1  0  0  0
  7  8  1  0  0  0
  7 28  1  0  0  0
  7 29  1  0  0  0
  8  9  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 17  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 30  1  0  0  0
 14 31  1  0  0  0
 15 16  1  0  0  0
 16 32  1  0  0  0
 16 33  1  0  0  0
 16 34  1  0  0  0
 17 35  1  0  0  0
 17 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL66241

>  <PubChem CID>
10776012

>  <Formula>
C14H19NO2

>  <Molecular Weight>
233.311000

>  <IUPAC Name>


>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN(C)C1CC2COC3=C2C(=C(C=C3)OC)C1

>  <Isomeric SMILES>
CN(C)[C@@H]1C[C@@H]2COC3=C2C(=C(C=C3)OC)C1

>  <InChI Std. ID>
InChI=1S/C14H19NO2/c1-15(2)10-6-9-8-17-13-5-4-12(16-3)11(7-10)14(9)13/h4-5,9-10H,6-8H2,1-3H3/t9-,10-/m1/s1

>  <InChI Key>
NRQKPYBPFDFAAT-NXEZZACHSA-N

