
 Amedin

 49 50  0  0  0  0  0  0  0  0999 V2000
    3.7962   -0.7163   -2.4262 C   0  0  0  0  0
    3.5004   -0.0335   -1.1623 N   0  0  0  0  0
    3.7217   -0.9524   -0.0434 C   0  0  0  0  0
    4.3321    1.1796   -1.0534 C   0  0  0  0  0
    4.0840    2.0185    0.2112 C   0  0  0  0  0
    4.7288    3.3014    0.1135 O   0  0  0  0  0
    6.0743    3.3120    0.3247 C   0  0  0  0  0
    6.7554    2.3157    0.5509 O   0  0  0  0  0
    6.6831    4.7457    0.2424 C   0  0  0  0  0
    6.1827    5.4867   -1.0481 C   0  0  0  0  0
    6.6252    6.9639   -1.1571 C   0  0  0  0  0
    8.0610    7.1615   -1.6312 C   0  0  0  0  0
    8.3138    6.4461   -2.9516 C   0  0  0  0  0
    7.9613    4.9673   -2.8680 C   0  0  0  0  0
    6.5359    4.7456   -2.3630 C   0  0  0  0  0
    6.3619    5.4957    1.5465 C   0  0  0  0  0
    7.3764    5.8622    2.4501 C   0  0  0  0  0
    7.0770    6.5090    3.6519 C   0  0  0  0  0
    5.7567    6.8024    3.9770 C   0  0  0  0  0
    4.7361    6.4593    3.0960 C   0  0  0  0  0
    5.0351    5.8171    1.8914 C   0  0  0  0  0
    8.1113    4.5822    0.1487 O   0  0  0  0  0
    3.5976   -0.0560   -3.2778 H   0  0  0  0  0
    3.1504   -1.5923   -2.5521 H   0  0  0  0  0
    4.8402   -1.0465   -2.4819 H   0  0  0  0  0
    3.1509   -1.8774   -0.1843 H   0  0  0  0  0
    3.3615   -0.5188    0.8951 H   0  0  0  0  0
    4.7789   -1.2155    0.0741 H   0  0  0  0  0
    4.1281    1.8274   -1.9169 H   0  0  0  0  0
    5.3968    0.9234   -1.1222 H   0  0  0  0  0
    4.4146    1.5089    1.1230 H   0  0  0  0  0
    3.0128    2.2200    0.3212 H   0  0  0  0  0
    5.0848    5.5099   -1.0000 H   0  0  0  0  0
    6.4760    7.4963   -0.2125 H   0  0  0  0  0
    5.9613    7.4595   -1.8793 H   0  0  0  0  0
    8.2542    8.2333   -1.7593 H   0  0  0  0  0
    8.7661    6.8085   -0.8716 H   0  0  0  0  0
    7.7148    6.9176   -3.7410 H   0  0  0  0  0
    9.3646    6.5619   -3.2406 H   0  0  0  0  0
    8.0660    4.5152   -3.8614 H   0  0  0  0  0
    8.6810    4.4516   -2.2242 H   0  0  0  0  0
    5.8471    5.1006   -3.1418 H   0  0  0  0  0
    6.3487    3.6700   -2.2719 H   0  0  0  0  0
    8.4209    5.6511    2.2277 H   0  0  0  0  0
    7.8790    6.7804    4.3338 H   0  0  0  0  0
    5.5244    7.3001    4.9145 H   0  0  0  0  0
    3.7035    6.6892    3.3463 H   0  0  0  0  0
    4.2095    5.5655    1.2289 H   0  0  0  0  0
    8.2989    3.6547    0.3993 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 22  1  0  0  0
  9 16  1  0  0  0
  9 10  1  0  0  0
 10 15  1  0  0  0
 10 11  1  0  0  0
 10 33  1  0  0  0
 11 12  1  0  0  0
 11 34  1  0  0  0
 11 35  1  0  0  0
 12 13  1  0  0  0
 12 36  1  0  0  0
 12 37  1  0  0  0
 13 14  1  0  0  0
 13 38  1  0  0  0
 13 39  1  0  0  0
 14 15  1  0  0  0
 14 40  1  0  0  0
 14 41  1  0  0  0
 15 42  1  0  0  0
 15 43  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 44  1  0  0  0
 18 19  2  0  0  0
 18 45  1  0  0  0
 19 20  1  0  0  0
 19 46  1  0  0  0
 20 21  2  0  0  0
 20 47  1  0  0  0
 21 48  1  0  0  0
 22 49  1  0  0  0
M  END

>  <Chemical Name>
Amedin

>  <PubChem CID>
168386

>  <Formula>
C18H27NO3

>  <Molecular Weight>
305.418000

>  <IUPAC Name>
2-(dimethylamino)ethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(C)CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O

>  <Isomeric SMILES>
CN(C)CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O

>  <InChI Std. ID>
InChI=1S/C18H27NO3/c1-19(2)13-14-22-17(20)18(21,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3,5-6,9-10,16,21H,4,7-8,11-14H2,1-2H3

>  <InChI Key>
BGUILKOLBPOILU-UHFFFAOYSA-N

