
 CID 62706519

 57 59  0  0  0  0  0  0  0  0999 V2000
    2.6346    0.0251   -3.6845 C   0  0  0  0  0
    3.0225    0.9355   -4.8558 C   0  0  0  0  0
    4.1941    0.2913   -5.6123 C   0  0  0  0  0
    1.8624    1.1385   -5.8356 C   0  0  0  0  0
    3.5540    2.1886   -4.3576 O   0  0  0  0  0
    2.7735    3.0392   -3.6413 C   0  0  0  0  0
    1.5633    2.9159   -3.5042 O   0  0  0  0  0
    3.5193    4.0424   -3.0179 N   0  0  0  0  0
    4.9687    3.8860   -2.9084 C   0  0  0  0  0
    5.6810    5.1419   -2.4179 C   0  0  0  0  0
    5.0382    5.7152   -1.1494 C   0  0  0  0  0
    3.5644    6.0065   -1.4690 C   0  0  0  0  0
    2.8199    4.7724   -1.9657 C   0  0  0  0  0
    5.1760    4.8013    0.0889 C   0  0  0  0  0
    6.6153    4.4819    0.5215 C   0  0  0  0  0
    7.4732    5.7013    0.8685 C   0  0  0  0  0
    6.9904    6.3286    2.0911 N   0  0  0  0  0
    7.5477    7.5163    2.5622 C   0  0  0  0  0
    8.7099    8.0900    2.0388 C   0  0  0  0  0
    9.1986    9.2320    2.6471 C   0  0  0  0  0
    8.6236    9.8089    3.7579 C   0  0  0  0  0
    7.5003    9.2494    4.3206 C   0  0  0  0  0
    6.9716    8.0987    3.7191 C   0  0  0  0  0
    9.2480   10.9298    4.2366 O   0  0  0  0  0
   10.3749   11.1544    3.3510 C   0  0  0  0  0
   10.3348   10.0518    2.3261 C   0  0  0  0  0
   11.0921    9.8665    1.3914 O   0  0  0  0  0
    1.7874    0.4275   -3.1203 H   0  0  0  0  0
    3.4646   -0.0651   -2.9739 H   0  0  0  0  0
    2.3601   -0.9772   -4.0287 H   0  0  0  0  0
    5.0599    0.1597   -4.9527 H   0  0  0  0  0
    4.5275    0.9360   -6.4340 H   0  0  0  0  0
    3.9233   -0.6856   -6.0263 H   0  0  0  0  0
    0.9530    1.4807   -5.3330 H   0  0  0  0  0
    1.6103    0.2044   -6.3497 H   0  0  0  0  0
    2.1140    1.8946   -6.5873 H   0  0  0  0  0
    5.3787    3.6095   -3.8866 H   0  0  0  0  0
    5.1598    3.0434   -2.2331 H   0  0  0  0  0
    6.7446    4.9322   -2.2643 H   0  0  0  0  0
    5.6333    5.9030   -3.2082 H   0  0  0  0  0
    5.5143    6.6768   -0.9247 H   0  0  0  0  0
    3.0547    6.4177   -0.5899 H   0  0  0  0  0
    3.5204    6.7814   -2.2457 H   0  0  0  0  0
    2.6443    4.0725   -1.1398 H   0  0  0  0  0
    1.8323    5.0740   -2.3355 H   0  0  0  0  0
    4.6709    3.8443   -0.0857 H   0  0  0  0  0
    4.6399    5.2623    0.9272 H   0  0  0  0  0
    7.1136    3.9102   -0.2697 H   0  0  0  0  0
    6.5692    3.8153    1.3928 H   0  0  0  0  0
    7.4865    6.4106    0.0349 H   0  0  0  0  0
    8.5023    5.3563    1.0268 H   0  0  0  0  0
    5.9831    6.2977    2.2216 H   0  0  0  0  0
    9.2293    7.6827    1.1795 H   0  0  0  0  0
    7.0436    9.6763    5.2070 H   0  0  0  0  0
    6.0969    7.6346    4.1716 H   0  0  0  0  0
   10.2548   12.1302    2.8727 H   0  0  0  0  0
   11.2976   11.1038    3.9350 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  5  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4 34  1  0  0  0
  4 35  1  0  0  0
  4 36  1  0  0  0
  5  6  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8 13  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 37  1  0  0  0
  9 38  1  0  0  0
 10 11  1  0  0  0
 10 39  1  0  0  0
 10 40  1  0  0  0
 11 12  1  0  0  0
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 14 15  1  0  0  0
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 14 47  1  0  0  0
 15 16  1  0  0  0
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 18 19  2  0  0  0
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 26 27  2  0  0  0
M  END

>  <Chemical Name>
CID 62706519

>  <PubChem CID>
62706519

>  <Formula>
C21H30N2O4

>  <Molecular Weight>
374.481000

>  <IUPAC Name>
tert-butyl 4-[3-[(3-oxo-1-benzofuran-5-yl)amino]propyl]piperidine-1-carboxylate

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)(C)OC(=O)N1CCC(CC1)CCCNC2=CC3=C(C=C2)OCC3=O

>  <Isomeric SMILES>
CC(C)(C)OC(=O)N1CCC(CC1)CCCNC2=CC3=C(C=C2)OCC3=O

>  <InChI Std. ID>
InChI=1S/C21H30N2O4/c1-21(2,3)27-20(25)23-11-8-15(9-12-23)5-4-10-22-16-6-7-19-17(13-16)18(24)14-26-19/h6-7,13,15,22H,4-5,8-12,14H2,1-3H3

>  <InChI Key>
DZUKNPGXPKVUNH-UHFFFAOYSA-N

