
 AC1OCD6K

 58 59  0  0  0  0  0  0  0  0999 V2000
    9.4797    2.7687   -0.0964 C   0  0  0  0  0
    8.7888    3.5733    1.0076 C   0  0  0  0  0
    8.8401    5.0636    0.6684 C   0  0  0  0  0
    7.4089    3.0890    1.1290 N   0  0  0  0  0
    6.7067    3.6235    2.3053 C   0  0  0  0  0
    5.3470    2.9267    2.4983 C   0  0  0  0  0
    4.3900    3.1775    1.3215 C   0  0  0  0  0
    3.0880    2.6498    1.6269 O   0  0  0  0  0
    2.2711    3.4016    2.4241 C   0  0  0  0  0
    1.3712    2.6730    3.2002 C   0  0  0  0  0
    0.4805    3.3290    4.0531 C   0  0  0  0  0
    0.4607    4.7228    4.1297 C   0  0  0  0  0
    1.3401    5.4528    3.3323 C   0  0  0  0  0
    2.2418    4.7941    2.4810 C   0  0  0  0  0
   -0.4595    5.2239    5.0046 O   0  0  0  0  0
   -0.5835    6.6374    5.1509 C   0  0  0  0  0
   -1.5653    7.2130    4.1340 C   0  0  0  0  0
   -1.7104    8.6141    4.3627 O   0  0  0  0  0
   -2.5421    9.2297    3.3754 C   0  0  0  0  0
   -2.6011   10.7387    3.6188 C   0  0  0  0  0
   -1.2746   11.4149    3.3505 C   0  0  0  0  0
   -0.9500   11.8657    2.0614 C   0  0  0  0  0
    0.2906   12.4566    1.8161 C   0  0  0  0  0
    1.2033   12.5948    2.8553 C   0  0  0  0  0
    0.9008   12.1531    4.1372 C   0  0  0  0  0
   -0.3368   11.5613    4.3846 C   0  0  0  0  0
    2.3955   13.1568    2.6159 F   0  0  0  0  0
    5.5664    1.5116    2.6538 O   0  0  0  0  0
    9.4991    1.7006    0.1477 H   0  0  0  0  0
   10.5173    3.0962   -0.2237 H   0  0  0  0  0
    8.9697    2.8869   -1.0593 H   0  0  0  0  0
    9.3343    3.3955    1.9428 H   0  0  0  0  0
    8.2374    5.2927   -0.2177 H   0  0  0  0  0
    9.8688    5.3795    0.4639 H   0  0  0  0  0
    8.4730    5.6770    1.4974 H   0  0  0  0  0
    7.4167    2.0687    1.2381 H   0  0  0  0  0
    6.5423    4.7012    2.2035 H   0  0  0  0  0
    7.3149    3.4465    3.2006 H   0  0  0  0  0
    4.9000    3.2749    3.4357 H   0  0  0  0  0
    4.7302    2.6122    0.4460 H   0  0  0  0  0
    4.3561    4.2280    1.0211 H   0  0  0  0  0
    1.3650    1.5873    3.1518 H   0  0  0  0  0
   -0.2061    2.7457    4.6623 H   0  0  0  0  0
    1.3517    6.5376    3.3350 H   0  0  0  0  0
    2.8852    5.4064    1.8586 H   0  0  0  0  0
    0.3820    7.1566    5.1422 H   0  0  0  0  0
   -0.9822    6.8181    6.1569 H   0  0  0  0  0
   -2.5391    6.7190    4.2335 H   0  0  0  0  0
   -1.2042    7.0347    3.1151 H   0  0  0  0  0
   -3.5517    8.8113    3.4592 H   0  0  0  0  0
   -2.1530    9.0145    2.3732 H   0  0  0  0  0
   -2.9031   10.9423    4.6537 H   0  0  0  0  0
   -3.3679   11.1858    2.9743 H   0  0  0  0  0
   -1.6576   11.7555    1.2430 H   0  0  0  0  0
    0.5525   12.8062    0.8229 H   0  0  0  0  0
    1.6293   12.2661    4.9330 H   0  0  0  0  0
   -0.5668   11.1987    5.3854 H   0  0  0  0  0
    4.6932    1.0920    2.5392 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  4  5  1  0  0  0
  4 36  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  5 38  1  0  0  0
  6 28  1  0  0  0
  6  7  1  0  0  0
  6 39  1  0  0  0
  7  8  1  0  0  0
  7 40  1  0  0  0
  7 41  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 42  1  0  0  0
 11 12  2  0  0  0
 11 43  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 44  1  0  0  0
 14 45  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 46  1  0  0  0
 16 47  1  0  0  0
 17 18  1  0  0  0
 17 48  1  0  0  0
 17 49  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 50  1  0  0  0
 19 51  1  0  0  0
 20 21  1  0  0  0
 20 52  1  0  0  0
 20 53  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 54  1  0  0  0
 23 24  2  0  0  0
 23 55  1  0  0  0
 24 25  1  0  0  0
 24 27  1  0  0  0
 25 26  2  0  0  0
 25 56  1  0  0  0
 26 57  1  0  0  0
 28 58  1  0  0  0
M  END

>  <Chemical Name>
AC1OCD6K

>  <PubChem CID>
6916046

>  <Formula>
C22H30FNO4

>  <Molecular Weight>
391.483000

>  <IUPAC Name>
(2R)-1-[4-[2-[2-(4-fluorophenyl)ethoxy]ethoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol

>  <XlogP>
3.700

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C)NCC(COC1=CC=C(C=C1)OCCOCCC2=CC=C(C=C2)F)O

>  <Isomeric SMILES>
CC(C)NC[C@H](COC1=CC=C(C=C1)OCCOCCC2=CC=C(C=C2)F)O

>  <InChI Std. ID>
InChI=1S/C22H30FNO4/c1-17(2)24-15-20(25)16-28-22-9-7-21(8-10-22)27-14-13-26-12-11-18-3-5-19(23)6-4-18/h3-10,17,20,24-25H,11-16H2,1-2H3/t20-/m1/s1

>  <InChI Key>
CYCXZGUVPDRYLG-HXUWFJFHSA-N

