
 eucatropine

 46 47  0  0  0  0  0  0  0  0999 V2000
    0.8903    0.0603    0.3905 C   0  0  0  0  0
    2.3817    0.1304    0.0396 C   0  0  0  0  0
    2.8793   -1.1533   -0.6318 C   0  0  0  0  0
    2.5209   -1.2170   -2.1116 C   0  0  0  0  0
    3.0328    0.0402   -2.8137 C   0  0  0  0  0
    2.5156    1.3460   -2.1692 C   0  0  0  0  0
    2.7428    1.3691   -0.6930 N   0  0  0  0  0
    4.1030    1.7798   -0.3109 C   0  0  0  0  0
    1.0100    1.5373   -2.4728 C   0  0  0  0  0
    3.2133    2.5308   -2.8941 C   0  0  0  0  0
    3.1649   -2.3896   -2.6553 O   0  0  0  0  0
    2.6652   -2.8570   -3.8318 C   0  0  0  0  0
    1.7461   -2.3467   -4.4680 O   0  0  0  0  0
    3.4062   -4.1140   -4.3037 C   0  0  0  0  0
    3.0952   -5.3268   -3.4556 C   0  0  0  0  0
    1.7763   -5.7938   -3.3252 C   0  0  0  0  0
    1.4933   -6.9191   -2.5499 C   0  0  0  0  0
    2.5238   -7.5949   -1.9007 C   0  0  0  0  0
    3.8375   -7.1474   -2.0268 C   0  0  0  0  0
    4.1232   -6.0202   -2.8001 C   0  0  0  0  0
    3.0868   -4.4392   -5.6597 O   0  0  0  0  0
    0.5161    1.0342    0.7246 H   0  0  0  0  0
    0.7384   -0.6426    1.2185 H   0  0  0  0  0
    0.2655   -0.2925   -0.4309 H   0  0  0  0  0
    2.8637    0.1675    1.0273 H   0  0  0  0  0
    2.4826   -2.0381   -0.1174 H   0  0  0  0  0
    3.9703   -1.2260   -0.5226 H   0  0  0  0  0
    1.4358   -1.3253   -2.2189 H   0  0  0  0  0
    4.1318    0.0224   -2.8089 H   0  0  0  0  0
    2.7567    0.0102   -3.8754 H   0  0  0  0  0
    4.2184    1.7960    0.7796 H   0  0  0  0  0
    4.3151    2.8072   -0.6226 H   0  0  0  0  0
    4.8699    1.1156   -0.7230 H   0  0  0  0  0
    0.4000    0.6696   -2.2241 H   0  0  0  0  0
    0.8444    1.7172   -3.5424 H   0  0  0  0  0
    0.6060    2.4026   -1.9339 H   0  0  0  0  0
    4.3057    2.4569   -2.8555 H   0  0  0  0  0
    2.9150    3.4931   -2.4614 H   0  0  0  0  0
    2.9451    2.5556   -3.9576 H   0  0  0  0  0
    4.4778   -3.8845   -4.2885 H   0  0  0  0  0
    0.9597   -5.2891   -3.8384 H   0  0  0  0  0
    0.4695   -7.2732   -2.4609 H   0  0  0  0  0
    2.3040   -8.4762   -1.3040 H   0  0  0  0  0
    4.6422   -7.6819   -1.5284 H   0  0  0  0  0
    5.1568   -5.6942   -2.8945 H   0  0  0  0  0
    2.2936   -3.9154   -5.8846 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4 11  1  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6 10  1  0  0  0
  6  9  1  0  0  0
  7  8  1  0  0  0
  8 31  1  0  0  0
  8 32  1  0  0  0
  8 33  1  0  0  0
  9 34  1  0  0  0
  9 35  1  0  0  0
  9 36  1  0  0  0
 10 37  1  0  0  0
 10 38  1  0  0  0
 10 39  1  0  0  0
 11 12  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 21  1  0  0  0
 14 15  1  0  0  0
 14 40  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 41  1  0  0  0
 17 18  2  0  0  0
 17 42  1  0  0  0
 18 19  1  0  0  0
 18 43  1  0  0  0
 19 20  2  0  0  0
 19 44  1  0  0  0
 20 45  1  0  0  0
 21 46  1  0  0  0
M  END

>  <Chemical Name>
eucatropine

>  <PubChem CID>
7534

>  <Formula>
C17H25NO3

>  <Molecular Weight>
291.391000

>  <IUPAC Name>
(1,2,2,6-tetramethylpiperidin-4-yl) 2-hydroxy-2-phenylacetate

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1CC(CC(N1C)(C)C)OC(=O)C(C2=CC=CC=C2)O

>  <Isomeric SMILES>
CC1CC(CC(N1C)(C)C)OC(=O)C(C2=CC=CC=C2)O

>  <InChI Std. ID>
InChI=1S/C17H25NO3/c1-12-10-14(11-17(2,3)18(12)4)21-16(20)15(19)13-8-6-5-7-9-13/h5-9,12,14-15,19H,10-11H2,1-4H3

>  <InChI Key>
QSAVEGSLJISCDF-UHFFFAOYSA-N

