
 AH 001

 33 34  0  0  0  0  0  0  0  0999 V2000
    0.8595    0.9068   -0.5513 C   0  0  0  0  0
    2.2821    1.3395   -0.7823 C   0  0  0  0  0
    2.5774    2.1945   -1.6093 O   0  0  0  0  0
    3.2009    0.7146    0.0334 N   0  0  0  0  0
    4.6360    0.9750   -0.0713 C   0  0  0  0  0
    5.2687    0.1176   -1.1676 C   0  0  0  0  0
    6.7389    0.4890   -1.3317 C   0  0  0  0  0
    7.4946    0.4755   -0.0260 C   0  0  0  0  0
    6.8351    0.6172    1.2119 C   0  0  0  0  0
    5.3257    0.7172    1.2768 C   0  0  0  0  0
    7.5833    0.6016    2.4089 C   0  0  0  0  0
    8.9738    0.4718    2.3553 C   0  0  0  0  0
    9.6250    0.3628    1.1273 C   0  0  0  0  0
    8.8915    0.3692   -0.0555 C   0  0  0  0  0
    6.8568    0.7149    3.5672 O   0  0  0  0  0
    7.5757    0.7075    4.7937 C   0  0  0  0  0
    0.8020    0.0082    0.0692 H   0  0  0  0  0
    0.3918    0.6888   -1.5143 H   0  0  0  0  0
    0.3193    1.7151   -0.0528 H   0  0  0  0  0
    2.9014   -0.0805    0.5806 H   0  0  0  0  0
    4.7647    2.0319   -0.3400 H   0  0  0  0  0
    4.7500    0.2572   -2.1231 H   0  0  0  0  0
    5.1742   -0.9470   -0.9128 H   0  0  0  0  0
    6.8198    1.4941   -1.7648 H   0  0  0  0  0
    7.2006   -0.2123   -2.0366 H   0  0  0  0  0
    4.9524   -0.2225    1.7062 H   0  0  0  0  0
    5.0357    1.5237    1.9638 H   0  0  0  0  0
    9.5831    0.4523    3.2528 H   0  0  0  0  0
   10.7070    0.2709    1.0939 H   0  0  0  0  0
    9.4156    0.2852   -1.0054 H   0  0  0  0  0
    6.8575    0.8712    5.6031 H   0  0  0  0  0
    8.3079    1.5213    4.8344 H   0  0  0  0  0
    8.0519   -0.2643    4.9604 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 20  1  0  0  0
  5  6  1  0  0  0
  5 10  1  0  0  0
  5 21  1  0  0  0
  6  7  1  0  0  0
  6 22  1  0  0  0
  6 23  1  0  0  0
  7  8  1  0  0  0
  7 24  1  0  0  0
  7 25  1  0  0  0
  8 14  1  0  0  0
  8  9  2  0  0  0
  9 11  1  0  0  0
  9 10  1  0  0  0
 10 26  1  0  0  0
 10 27  1  0  0  0
 11 12  2  0  0  0
 11 15  1  0  0  0
 12 13  1  0  0  0
 12 28  1  0  0  0
 13 14  2  0  0  0
 13 29  1  0  0  0
 14 30  1  0  0  0
 15 16  1  0  0  0
 16 31  1  0  0  0
 16 32  1  0  0  0
 16 33  1  0  0  0
M  END

>  <Chemical Name>
AH 001

>  <PubChem CID>
3018920

>  <Formula>
C13H17NO2

>  <Molecular Weight>
219.284000

>  <IUPAC Name>
N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(=O)NC1CCC2=C(C1)C(=CC=C2)OC

>  <Isomeric SMILES>
CC(=O)NC1CCC2=C(C1)C(=CC=C2)OC

>  <InChI Std. ID>
InChI=1S/C13H17NO2/c1-9(15)14-11-7-6-10-4-3-5-13(16-2)12(10)8-11/h3-5,11H,6-8H2,1-2H3,(H,14,15)

>  <InChI Key>
VDJCYVYVTWEIPD-UHFFFAOYSA-N

