
 CHEMBL111866

 42 43  0  0  0  0  0  0  0  0999 V2000
    7.4758    3.7812   -3.6351 C   0  0  0  0  0
    6.2906    4.5728   -3.1026 C   0  0  0  0  0
    5.4791    3.7896   -2.0738 C   0  0  0  0  0
    6.2567    3.4847   -0.8091 C   0  0  0  0  0
    6.5731    2.3402   -0.4977 O   0  0  0  0  0
    6.5563    4.5928   -0.0564 N   0  0  0  0  0
    7.2644    4.5271    1.2109 C   0  0  0  0  0
    8.6796    5.1519    1.1598 C   0  0  0  0  0
    9.4263    4.9264    2.4874 C   0  0  0  0  0
    8.8145    5.7489    3.6179 C   0  0  0  0  0
    8.8482    7.2450    3.3107 C   0  0  0  0  0
    8.6236    7.6046    1.8617 C   0  0  0  0  0
    8.6201    6.6382    0.8429 C   0  0  0  0  0
    8.5350    7.0556   -0.4968 C   0  0  0  0  0
    8.4157    8.4049   -0.8349 C   0  0  0  0  0
    8.3913    9.3569    0.1795 C   0  0  0  0  0
    8.5045    8.9594    1.5158 C   0  0  0  0  0
    8.3242    8.6513   -2.1768 O   0  0  0  0  0
    8.2708   10.0151   -2.5765 C   0  0  0  0  0
    8.0018    4.3599   -4.4008 H   0  0  0  0  0
    7.1470    2.8401   -4.0870 H   0  0  0  0  0
    8.1911    3.5505   -2.8398 H   0  0  0  0  0
    5.6355    4.8338   -3.9426 H   0  0  0  0  0
    6.6487    5.5156   -2.6772 H   0  0  0  0  0
    5.1269    2.8443   -2.5031 H   0  0  0  0  0
    4.5865    4.3616   -1.7938 H   0  0  0  0  0
    6.2368    5.5030   -0.3647 H   0  0  0  0  0
    7.3332    3.4828    1.5341 H   0  0  0  0  0
    6.6249    5.0532    1.9295 H   0  0  0  0  0
    9.2566    4.6498    0.3708 H   0  0  0  0  0
    9.4133    3.8626    2.7527 H   0  0  0  0  0
   10.4809    5.2086    2.3690 H   0  0  0  0  0
    9.3517    5.5578    4.5542 H   0  0  0  0  0
    7.7804    5.4328    3.7945 H   0  0  0  0  0
    9.8335    7.6352    3.5972 H   0  0  0  0  0
    8.1030    7.7514    3.9360 H   0  0  0  0  0
    8.5649    6.3172   -1.2960 H   0  0  0  0  0
    8.2998   10.4170   -0.0308 H   0  0  0  0  0
    8.5127    9.7213    2.2931 H   0  0  0  0  0
    8.2302   10.0415   -3.6697 H   0  0  0  0  0
    9.1705   10.5551   -2.2633 H   0  0  0  0  0
    7.3654   10.5008   -2.1981 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  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 13  1  0  0  0
  8 30  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
  9 32  1  0  0  0
 10 11  1  0  0  0
 10 33  1  0  0  0
 10 34  1  0  0  0
 11 12  1  0  0  0
 11 35  1  0  0  0
 11 36  1  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 37  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  2  0  0  0
 16 38  1  0  0  0
 17 39  1  0  0  0
 18 19  1  0  0  0
 19 40  1  0  0  0
 19 41  1  0  0  0
 19 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL111866

>  <PubChem CID>
10467843

>  <Formula>
C16H23NO2

>  <Molecular Weight>
261.365000

>  <IUPAC Name>
N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]butanamide

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCC(=O)NCC1CCCC2=C1C=C(C=C2)OC

>  <Isomeric SMILES>
CCCC(=O)NCC1CCCC2=C1C=C(C=C2)OC

>  <InChI Std. ID>
InChI=1S/C16H23NO2/c1-3-5-16(18)17-11-13-7-4-6-12-8-9-14(19-2)10-15(12)13/h8-10,13H,3-7,11H2,1-2H3,(H,17,18)

>  <InChI Key>
BWKXRHHGBCWDDH-UHFFFAOYSA-N

