
 CHEMBL138321

 36 38  0  0  0  0  0  0  0  0999 V2000
    4.3710    5.9037   -2.7447 C   0  0  0  0  0
    3.9275    4.7854   -1.8410 C   0  0  0  0  0
    3.0158    4.9156   -1.0316 O   0  0  0  0  0
    4.6130    3.6091   -2.0326 N   0  0  0  0  0
    4.3552    2.4334   -1.2206 C   0  0  0  0  0
    5.0497    2.4773    0.1453 C   0  0  0  0  0
    6.5429    2.4754    0.0428 C   0  0  0  0  0
    7.3340    3.6078    0.0040 C   0  0  0  0  0
    8.6431    3.2869   -0.0960 O   0  0  0  0  0
    8.7208    1.9309   -0.1033 C   0  0  0  0  0
    7.4511    1.3610   -0.0229 C   0  0  0  0  0
    7.3462   -0.0573   -0.0212 C   0  0  0  0  0
    8.5534   -0.7953   -0.0608 C   0  0  0  0  0
    9.8005   -0.1732   -0.1549 C   0  0  0  0  0
    9.9109    1.2149   -0.1792 C   0  0  0  0  0
    8.6031   -2.1685   -0.0468 O   0  0  0  0  0
    7.4067   -2.8099    0.3960 C   0  0  0  0  0
    6.1896   -2.2576   -0.3177 C   0  0  0  0  0
    6.0341   -0.7919    0.0543 C   0  0  0  0  0
    5.4283    5.8036   -3.0060 H   0  0  0  0  0
    4.2375    6.8589   -2.2294 H   0  0  0  0  0
    3.7683    5.8910   -3.6565 H   0  0  0  0  0
    5.4341    3.6041   -2.6251 H   0  0  0  0  0
    4.6867    1.5699   -1.8057 H   0  0  0  0  0
    3.2728    2.3457   -1.0723 H   0  0  0  0  0
    4.7225    1.6216    0.7460 H   0  0  0  0  0
    4.7291    3.3716    0.6951 H   0  0  0  0  0
    7.1161    4.6668    0.0354 H   0  0  0  0  0
   10.7009   -0.7818   -0.2009 H   0  0  0  0  0
   10.8687    1.7159   -0.2421 H   0  0  0  0  0
    7.5108   -3.8773    0.1748 H   0  0  0  0  0
    7.3229   -2.7098    1.4855 H   0  0  0  0  0
    5.2875   -2.8162   -0.0481 H   0  0  0  0  0
    6.3297   -2.3458   -1.4026 H   0  0  0  0  0
    5.6508   -0.7093    1.0784 H   0  0  0  0  0
    5.3016   -0.3380   -0.6187 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  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  5 25  1  0  0  0
  6  7  1  0  0  0
  6 26  1  0  0  0
  6 27  1  0  0  0
  7  8  2  0  0  0
  7 11  1  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  9 10  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 19  1  0  0  0
 13 16  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 29  1  0  0  0
 15 30  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 17 31  1  0  0  0
 17 32  1  0  0  0
 18 19  1  0  0  0
 18 33  1  0  0  0
 18 34  1  0  0  0
 19 35  1  0  0  0
 19 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL138321

>  <PubChem CID>
9834952

>  <Formula>
C15H17NO3

>  <Molecular Weight>
259.305000

>  <IUPAC Name>
N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]acetamide

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(=O)NCCC1=COC2=C1C3=C(C=C2)OCCC3

>  <Isomeric SMILES>
CC(=O)NCCC1=COC2=C1C3=C(C=C2)OCCC3

>  <InChI Std. ID>
InChI=1S/C15H17NO3/c1-10(17)16-7-6-11-9-19-14-5-4-13-12(15(11)14)3-2-8-18-13/h4-5,9H,2-3,6-8H2,1H3,(H,16,17)

>  <InChI Key>
CFJPZHWHDDRJIZ-UHFFFAOYSA-N

