
 CHEMBL201946

 41 44  0  0  0  0  0  0  0  0999 V2000
   -2.0483   -0.4726    0.5804 C   0  0  0  0  0
   -1.5002    0.8684    0.1272 C   0  0  0  0  0
   -0.2705    0.5419   -0.7322 C   0  0  0  0  0
    1.0579    0.9670   -0.1088 C   0  0  0  0  0
    1.3654   -0.1893    0.8344 C   0  0  0  0  0
    0.8303   -1.4107    0.1027 C   0  0  0  0  0
   -0.2072   -0.9385   -0.8345 N   0  0  0  0  0
   -1.5466   -1.4271   -0.4830 C   0  0  0  0  0
    2.1428    1.1413   -1.1836 C   0  0  0  0  0
    3.4227    1.4142   -0.5897 O   0  0  0  0  0
    3.6500    2.7068   -0.2102 C   0  0  0  0  0
    2.8387    3.6157   -0.3498 O   0  0  0  0  0
    4.9640    2.8793    0.3994 C   0  0  0  0  0
    5.9342    1.8980    0.5341 C   0  0  0  0  0
    7.0229    2.4425    1.1572 N   0  0  0  0  0
    6.7921    3.7664    1.4449 C   0  0  0  0  0
    7.6160    4.7053    2.0775 C   0  0  0  0  0
    7.1169    6.0002    2.2418 C   0  0  0  0  0
    5.8453    6.3404    1.7890 C   0  0  0  0  0
    5.0355    5.3893    1.1576 C   0  0  0  0  0
    5.5116    4.0724    0.9790 C   0  0  0  0  0
   -1.6400   -0.7363    1.5629 H   0  0  0  0  0
   -3.1395   -0.4679    0.6569 H   0  0  0  0  0
   -1.2853    1.5221    0.9783 H   0  0  0  0  0
   -2.2515    1.3709   -0.4946 H   0  0  0  0  0
   -0.4027    0.9859   -1.7261 H   0  0  0  0  0
    0.9679    1.8959    0.4650 H   0  0  0  0  0
    2.4263   -0.2868    1.0826 H   0  0  0  0  0
    0.8168   -0.0519    1.7745 H   0  0  0  0  0
    1.6340   -1.8648   -0.4886 H   0  0  0  0  0
    0.4860   -2.1749    0.8087 H   0  0  0  0  0
   -2.1863   -1.3633   -1.3721 H   0  0  0  0  0
   -1.5580   -2.4723   -0.1563 H   0  0  0  0  0
    1.8750    1.9371   -1.8899 H   0  0  0  0  0
    2.2649    0.2297   -1.7789 H   0  0  0  0  0
    5.9343    0.8582    0.2338 H   0  0  0  0  0
    7.8763    1.9486    1.3798 H   0  0  0  0  0
    8.6078    4.4440    2.4318 H   0  0  0  0  0
    7.7316    6.7526    2.7307 H   0  0  0  0  0
    5.4743    7.3532    1.9254 H   0  0  0  0  0
    4.0440    5.6677    0.8090 H   0  0  0  0  0
  1  8  1  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  2 25  1  0  0  0
  3  7  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  4  5  1  0  0  0
  4  9  1  0  0  0
  4 27  1  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  5 29  1  0  0  0
  6  7  1  0  0  0
  6 30  1  0  0  0
  6 31  1  0  0  0
  7  8  1  0  0  0
  8 32  1  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 21  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 36  1  0  0  0
 15 16  1  0  0  0
 15 37  1  0  0  0
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 17 18  1  0  0  0
 17 38  1  0  0  0
 18 19  2  0  0  0
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 19 20  1  0  0  0
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 20 21  2  0  0  0
 20 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL201946

>  <PubChem CID>
44407083

>  <Formula>
C17H20N2O2

>  <Molecular Weight>
284.359000

>  <IUPAC Name>
[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl 1H-indole-3-carboxylate

>  <XlogP>
3.700

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CC2C(CCN2C1)COC(=O)C3=CNC4=CC=CC=C43

>  <Isomeric SMILES>
C1C[C@H]2[C@@H](CCN2C1)COC(=O)C3=CNC4=CC=CC=C43

>  <InChI Std. ID>
InChI=1S/C17H20N2O2/c20-17(14-10-18-15-5-2-1-4-13(14)15)21-11-12-7-9-19-8-3-6-16(12)19/h1-2,4-5,10,12,16,18H,3,6-9,11H2/t12-,16-/m0/s1

>  <InChI Key>
FQUPQQRFDMPEMK-LRDDRELGSA-N

