
 CHEMBL132802

 39 41  0  0  0  0  0  0  0  0999 V2000
   -0.0267    3.3391   -1.9592 C   0  0  0  0  0
    1.1137    2.5418   -1.3883 C   0  0  0  0  0
    0.9398    1.5315   -0.7155 O   0  0  0  0  0
    2.3470    3.0834   -1.6667 N   0  0  0  0  0
    3.5771    2.4510   -1.2213 C   0  0  0  0  0
    4.7489    3.4556   -1.0484 C   0  0  0  0  0
    4.3546    4.4010    0.1114 C   0  0  0  0  0
    5.3214    5.5561    0.2762 C   0  0  0  0  0
    5.4204    6.3213   -1.0158 C   0  0  0  0  0
    5.6375    7.7067   -0.9794 C   0  0  0  0  0
    5.8309    8.4173   -2.1571 C   0  0  0  0  0
    5.8474    7.7429   -3.3746 C   0  0  0  0  0
    5.6528    6.3537   -3.4294 C   0  0  0  0  0
    5.3949    5.6225   -2.2443 C   0  0  0  0  0
    5.1568    4.2205   -2.3182 C   0  0  0  0  0
    5.3590    3.5560   -3.5495 C   0  0  0  0  0
    5.6230    4.2938   -4.7055 C   0  0  0  0  0
    5.7399    5.6806   -4.6496 C   0  0  0  0  0
    5.3156    2.1880   -3.5212 O   0  0  0  0  0
    5.6137    1.4805   -4.7181 C   0  0  0  0  0
   -0.0356    4.3384   -1.5155 H   0  0  0  0  0
   -0.9745    2.8423   -1.7273 H   0  0  0  0  0
    0.0740    3.4148   -3.0457 H   0  0  0  0  0
    2.4159    3.7844   -2.3958 H   0  0  0  0  0
    3.7950    1.6449   -1.9245 H   0  0  0  0  0
    3.3848    1.9556   -0.2598 H   0  0  0  0  0
    5.6371    2.8916   -0.7315 H   0  0  0  0  0
    4.2998    3.8327    1.0479 H   0  0  0  0  0
    3.3530    4.8188   -0.0583 H   0  0  0  0  0
    6.3171    5.1935    0.5572 H   0  0  0  0  0
    4.9634    6.2075    1.0819 H   0  0  0  0  0
    5.6650    8.2340   -0.0286 H   0  0  0  0  0
    5.9950    9.4908   -2.1263 H   0  0  0  0  0
    6.0334    8.3103   -4.2841 H   0  0  0  0  0
    5.7562    3.8189   -5.6712 H   0  0  0  0  0
    5.9473    6.2265   -5.5676 H   0  0  0  0  0
    4.8600    1.6784   -5.4876 H   0  0  0  0  0
    5.5820    0.4108   -4.4895 H   0  0  0  0  0
    6.6211    1.7129   -5.0779 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  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 15  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
  8 30  1  0  0  0
  8 31  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 32  1  0  0  0
 11 12  2  0  0  0
 11 33  1  0  0  0
 12 13  1  0  0  0
 12 34  1  0  0  0
 13 18  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 35  1  0  0  0
 18 36  1  0  0  0
 19 20  1  0  0  0
 20 37  1  0  0  0
 20 38  1  0  0  0
 20 39  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL132802

>  <PubChem CID>
9903515

>  <Formula>
C17H19NO2

>  <Molecular Weight>
269.344000

>  <IUPAC Name>
N-[(9-methoxy-2,3-dihydro-1H-phenalen-1-yl)methyl]acetamide

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(=O)NCC1CCC2=CC=CC3=C2C1=C(C=C3)OC

>  <Isomeric SMILES>
CC(=O)NCC1CCC2=CC=CC3=C2C1=C(C=C3)OC

>  <InChI Std. ID>
InChI=1S/C17H19NO2/c1-11(19)18-10-14-7-6-12-4-3-5-13-8-9-15(20-2)17(14)16(12)13/h3-5,8-9,14H,6-7,10H2,1-2H3,(H,18,19)

>  <InChI Key>
CKDRYPAKQOQDCX-UHFFFAOYSA-N

