
 Win-55212-2

 58 63  0  0  0  0  0  0  0  0999 V2000
    1.8608    1.1349   -1.0395 C   0  0  0  0  0
    2.9431    0.5796   -0.1797 C   0  0  0  0  0
    3.3071   -0.7592    0.0522 C   0  0  0  0  0
    4.3092   -0.7442    1.0936 C   0  0  0  0  0
    4.5780    0.5855    1.3507 C   0  0  0  0  0
    3.8267    1.3596    0.5104 N   0  0  0  0  0
    4.0456    2.8047    0.5652 C   0  0  0  0  0
    4.4905    3.1464    2.0184 C   0  0  0  0  0
    5.6567    2.4137    2.4762 O   0  0  0  0  0
    5.4802    1.0602    2.2965 C   0  0  0  0  0
    6.2166    0.1262    3.0093 C   0  0  0  0  0
    5.9907   -1.2360    2.7956 C   0  0  0  0  0
    5.0351   -1.6853    1.8601 C   0  0  0  0  0
    5.1412    3.2791   -0.4290 C   0  0  0  0  0
    4.8544    3.1053   -1.8688 N   0  0  0  0  0
    3.7388    3.9331   -2.3697 C   0  0  0  0  0
    4.0700    5.4282   -2.5048 C   0  0  0  0  0
    5.2185    5.6369   -3.3311 O   0  0  0  0  0
    6.3506    4.9188   -2.8242 C   0  0  0  0  0
    6.0511    3.4145   -2.6923 C   0  0  0  0  0
    2.7046   -1.8954   -0.6618 C   0  0  0  0  0
    1.6552   -1.8007   -1.2972 O   0  0  0  0  0
    3.3355   -3.2357   -0.6189 C   0  0  0  0  0
    2.4950   -4.2819   -0.2026 C   0  0  0  0  0
    2.9883   -5.5757   -0.0942 C   0  0  0  0  0
    4.3248   -5.8288   -0.3928 C   0  0  0  0  0
    5.1784   -4.8063   -0.8377 C   0  0  0  0  0
    6.5213   -5.0937   -1.1285 C   0  0  0  0  0
    7.3848   -4.1041   -1.5934 C   0  0  0  0  0
    6.9095   -2.8160   -1.7976 C   0  0  0  0  0
    5.5757   -2.5142   -1.5160 C   0  0  0  0  0
    4.6845   -3.4845   -0.9957 C   0  0  0  0  0
    1.5909    2.1550   -0.7519 H   0  0  0  0  0
    0.9440    0.5469   -0.9384 H   0  0  0  0  0
    2.1639    1.1335   -2.0888 H   0  0  0  0  0
    3.0920    3.3060    0.3774 H   0  0  0  0  0
    4.7342    4.2123    2.0929 H   0  0  0  0  0
    3.6713    2.9613    2.7278 H   0  0  0  0  0
    6.9528    0.4538    3.7346 H   0  0  0  0  0
    6.5589   -1.9674    3.3639 H   0  0  0  0  0
    4.8802   -2.7530    1.7420 H   0  0  0  0  0
    6.0593    2.7193   -0.2058 H   0  0  0  0  0
    5.3686    4.3299   -0.2152 H   0  0  0  0  0
    2.8432    3.8102   -1.7584 H   0  0  0  0  0
    3.4752    3.5491   -3.3648 H   0  0  0  0  0
    3.2280    5.9475   -2.9743 H   0  0  0  0  0
    4.2372    5.8938   -1.5265 H   0  0  0  0  0
    7.1745    5.0698   -3.5282 H   0  0  0  0  0
    6.6534    5.3574   -1.8673 H   0  0  0  0  0
    5.8692    3.0089   -3.6968 H   0  0  0  0  0
    6.9336    2.8868   -2.3089 H   0  0  0  0  0
    1.4523   -4.0827    0.0358 H   0  0  0  0  0
    2.3361   -6.3845    0.2258 H   0  0  0  0  0
    4.6966   -6.8469   -0.2884 H   0  0  0  0  0
    6.9098   -6.1010   -0.9921 H   0  0  0  0  0
    8.4237   -4.3422   -1.8036 H   0  0  0  0  0
    7.5730   -2.0412   -2.1720 H   0  0  0  0  0
    5.2450   -1.4931   -1.7022 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 21  1  0  0  0
  4 13  1  0  0  0
  4  5  2  0  0  0
  5 10  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 14  1  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  8 37  1  0  0  0
  8 38  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 39  1  0  0  0
 12 13  2  0  0  0
 12 40  1  0  0  0
 13 41  1  0  0  0
 14 15  1  0  0  0
 14 42  1  0  0  0
 14 43  1  0  0  0
 15 20  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
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 17 18  1  0  0  0
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 17 47  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 48  1  0  0  0
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 20 50  1  0  0  0
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 21 23  1  0  0  0
 21 22  2  0  0  0
 23 24  2  0  0  0
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 30 31  1  0  0  0
 30 57  1  0  0  0
 31 32  2  0  0  0
 31 58  1  0  0  0
M  END

>  <Chemical Name>
Win-55212-2

>  <PubChem CID>
5311501

>  <Formula>
C27H26N2O3

>  <Molecular Weight>
426.516000

>  <IUPAC Name>


>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(C2=C3N1C(COC3=CC=C2)CN4CCOCC4)C(=O)C5=CC=CC6=CC=CC=C65

>  <Isomeric SMILES>
CC1=C(C2=C3N1[C@@H](COC3=CC=C2)CN4CCOCC4)C(=O)C5=CC=CC6=CC=CC=C65

>  <InChI Std. ID>
InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1

>  <InChI Key>
HQVHOQAKMCMIIM-HXUWFJFHSA-N

