
 SR-01000181557

 64 66  0  0  0  0  0  0  0  0999 V2000
   10.8540    0.1827   -4.3653 C   0  0  0  0  0
   11.3297   -0.0170   -2.9383 C   0  0  0  0  0
   10.3877    0.6334   -2.0791 O   0  0  0  0  0
   10.6695    1.9192   -1.7393 C   0  0  0  0  0
   11.7670    2.4392   -1.8762 O   0  0  0  0  0
    9.5511    2.5746   -1.2689 N   0  0  0  0  0
    9.6702    3.9324   -0.7492 C   0  0  0  0  0
    8.5033    4.8202   -1.2120 C   0  0  0  0  0
    7.1508    4.2513   -0.9911 N   0  0  0  0  0
    7.1039    2.9061   -1.6069 C   0  0  0  0  0
    8.2317    1.9495   -1.1638 C   0  0  0  0  0
    6.7613    4.1791    0.4305 C   0  0  0  0  0
    6.7796    5.5102    1.1500 C   0  0  0  0  0
    6.2510    6.6699    0.5572 C   0  0  0  0  0
    6.3974    7.9085    1.1800 C   0  0  0  0  0
    7.0649    7.9854    2.3981 C   0  0  0  0  0
    7.4815    6.8321    3.0582 C   0  0  0  0  0
    7.3465    5.5968    2.4310 C   0  0  0  0  0
    7.3177    9.2172    2.9386 O   0  0  0  0  0
    8.7146    9.5423    2.8023 C   0  0  0  0  0
    8.9527   10.4088    1.5610 C   0  0  0  0  0
    8.2912   11.7928    1.7217 C   0  0  0  0  0
    8.5503   12.6726    0.5555 N   0  0  0  0  0
    7.7865   12.2816   -0.6439 C   0  0  0  0  0
    6.2759   12.5035   -0.5247 C   0  0  0  0  0
    5.9533   13.9392   -0.1222 C   0  0  0  0  0
    6.7763   14.3806    1.0840 C   0  0  0  0  0
    8.2645   14.0816    0.8846 C   0  0  0  0  0
   10.3590   10.5879    1.3528 O   0  0  0  0  0
   11.5008   -0.3364   -5.0758 H   0  0  0  0  0
   10.8293    1.2483   -4.6182 H   0  0  0  0  0
    9.8290   -0.1885   -4.4786 H   0  0  0  0  0
   12.3522    0.3503   -2.7999 H   0  0  0  0  0
   11.3243   -1.0815   -2.6850 H   0  0  0  0  0
   10.6165    4.3846   -1.0653 H   0  0  0  0  0
    9.6936    3.8619    0.3439 H   0  0  0  0  0
    8.6007    5.8142   -0.7628 H   0  0  0  0  0
    8.6096    4.9905   -2.2925 H   0  0  0  0  0
    6.1290    2.4378   -1.4253 H   0  0  0  0  0
    7.1700    3.0371   -2.6954 H   0  0  0  0  0
    8.1020    1.6446   -0.1198 H   0  0  0  0  0
    8.1744    1.0425   -1.7732 H   0  0  0  0  0
    7.4030    3.4756    0.9739 H   0  0  0  0  0
    5.7373    3.7912    0.5052 H   0  0  0  0  0
    5.7779    6.6109   -0.4212 H   0  0  0  0  0
    6.0352    8.8081    0.6910 H   0  0  0  0  0
    7.9481    6.8992    4.0364 H   0  0  0  0  0
    7.7196    4.7073    2.9334 H   0  0  0  0  0
    9.3628    8.6555    2.7726 H   0  0  0  0  0
    9.0121   10.0883    3.7053 H   0  0  0  0  0
    8.5538    9.8937    0.6821 H   0  0  0  0  0
    8.7507   12.2622    2.6021 H   0  0  0  0  0
    7.2233   11.6875    1.9359 H   0  0  0  0  0
    7.9857   11.2395   -0.9142 H   0  0  0  0  0
    8.1622   12.8683   -1.4931 H   0  0  0  0  0
    5.7962   12.2778   -1.4841 H   0  0  0  0  0
    5.8457   11.8086    0.2058 H   0  0  0  0  0
    6.1670   14.6058   -0.9666 H   0  0  0  0  0
    4.8844   14.0354    0.0981 H   0  0  0  0  0
    6.6376   15.4555    1.2474 H   0  0  0  0  0
    6.4076   13.8782    1.9862 H   0  0  0  0  0
    8.6511   14.7125    0.0733 H   0  0  0  0  0
    8.8269   14.3825    1.7771 H   0  0  0  0  0
   10.4190   11.3546    0.7462 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6 11  1  0  0  0
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  7 35  1  0  0  0
  7 36  1  0  0  0
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  8 37  1  0  0  0
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  9 10  1  0  0  0
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M  END

>  <Chemical Name>
SR-01000181557

>  <PubChem CID>
23723421

>  <Formula>
C22H35N3O4

>  <Molecular Weight>
405.539000

>  <IUPAC Name>
ethyl 4-[[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]methyl]piperazine-1-carboxylate

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCOC(=O)N1CCN(CC1)CC2=CC=C(C=C2)OCC(CN3CCCCC3)O

>  <Isomeric SMILES>
CCOC(=O)N1CCN(CC1)CC2=CC=C(C=C2)OCC(CN3CCCCC3)O

>  <InChI Std. ID>
InChI=1S/C22H35N3O4/c1-2-28-22(27)25-14-12-24(13-15-25)16-19-6-8-21(9-7-19)29-18-20(26)17-23-10-4-3-5-11-23/h6-9,20,26H,2-5,10-18H2,1H3

>  <InChI Key>
GHTYYFHWUZRTGZ-UHFFFAOYSA-N

