
 CHEMBL3986651

 55 58  0  0  0  0  0  0  0  0999 V2000
    6.4326    8.7882    3.0729 C   0  0  0  0  0
    6.5579    8.8196    1.6565 O   0  0  0  0  0
    5.5338    8.2687    0.9358 C   0  0  0  0  0
    4.3965    7.6554    1.4626 C   0  0  0  0  0
    3.4151    7.1238    0.6170 C   0  0  0  0  0
    3.5757    7.2064   -0.7657 C   0  0  0  0  0
    4.7111    7.8193   -1.2983 C   0  0  0  0  0
    5.6850    8.3456   -0.4494 C   0  0  0  0  0
    2.3665    6.5333    1.2673 O   0  0  0  0  0
    1.2193    6.2003    0.4820 C   0  0  0  0  0
    0.0715    5.7855    1.4212 C   0  0  0  0  0
   -0.3335    6.9129    2.3971 C   0  0  0  0  0
   -0.9706    8.0413    1.6860 N   0  0  0  0  0
   -2.1453    7.5178    0.9532 C   0  0  0  0  0
   -1.7745    6.3550    0.0174 C   0  0  0  0  0
   -1.0783    5.3028    0.6992 O   0  0  0  0  0
   -1.3880    9.1227    2.6024 C   0  0  0  0  0
   -0.2468    9.7881    3.4145 C   0  0  0  0  0
   -0.7403   10.9213    4.2127 N   0  0  0  0  0
   -1.8654   10.6895    5.1448 C   0  0  0  0  0
   -1.8085   11.7757    6.2278 C   0  0  0  0  0
   -0.3542   12.0922    6.2004 C   0  0  0  0  0
    0.3845   12.8047    7.1315 C   0  0  0  0  0
    1.7395   13.0080    6.8751 C   0  0  0  0  0
    2.3195   12.5132    5.6983 C   0  0  0  0  0
    1.5538   11.8050    4.7641 C   0  0  0  0  0
    0.2099   11.5848    5.0235 C   0  0  0  0  0
    7.3255    9.2562    3.4983 H   0  0  0  0  0
    6.3888    7.7589    3.4445 H   0  0  0  0  0
    5.5631    9.3662    3.4039 H   0  0  0  0  0
    4.2400    7.5737    2.5327 H   0  0  0  0  0
    2.8437    6.7974   -1.4537 H   0  0  0  0  0
    4.8409    7.8831   -2.3756 H   0  0  0  0  0
    6.5699    8.8170   -0.8696 H   0  0  0  0  0
    1.4535    5.3603   -0.1832 H   0  0  0  0  0
    0.9173    7.0546   -0.1346 H   0  0  0  0  0
    0.4266    4.9445    2.0300 H   0  0  0  0  0
    0.5587    7.2453    2.9361 H   0  0  0  0  0
   -1.0335    6.5047    3.1386 H   0  0  0  0  0
   -2.9010    7.1639    1.6671 H   0  0  0  0  0
   -2.5995    8.3151    0.3536 H   0  0  0  0  0
   -2.6897    5.9181   -0.3974 H   0  0  0  0  0
   -1.1743    6.7009   -0.8305 H   0  0  0  0  0
   -2.1504    8.7430    3.2941 H   0  0  0  0  0
   -1.8683    9.9116    2.0080 H   0  0  0  0  0
    0.5154   10.1365    2.7070 H   0  0  0  0  0
    0.2190    9.0554    4.0838 H   0  0  0  0  0
   -1.7653    9.6988    5.6111 H   0  0  0  0  0
   -2.8251   10.7156    4.6169 H   0  0  0  0  0
   -2.1490   11.3963    7.1948 H   0  0  0  0  0
   -2.3924   12.6553    5.9388 H   0  0  0  0  0
   -0.0751   13.1975    8.0316 H   0  0  0  0  0
    2.3478   13.5633    7.5854 H   0  0  0  0  0
    3.3743   12.6924    5.5029 H   0  0  0  0  0
    2.0164   11.4536    3.8494 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  7  8  2  0  0  0
  7 33  1  0  0  0
  8 34  1  0  0  0
  9 10  1  0  0  0
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 17 18  1  0  0  0
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 18 19  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3986651

>  <PubChem CID>
71062708

>  <Formula>
C22H28N2O3

>  <Molecular Weight>
368.477000

>  <IUPAC Name>
(2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[(3-methoxyphenoxy)methyl]morpholine

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=CC(=CC=C1)OCC2CN(CCO2)CCN3CCC4=CC=CC=C43

>  <Isomeric SMILES>
COC1=CC(=CC=C1)OC[C@@H]2CN(CCO2)CCN3CCC4=CC=CC=C43

>  <InChI Std. ID>
InChI=1S/C22H28N2O3/c1-25-19-6-4-7-20(15-19)27-17-21-16-23(13-14-26-21)11-12-24-10-9-18-5-2-3-8-22(18)24/h2-8,15,21H,9-14,16-17H2,1H3/t21-/m0/s1

>  <InChI Key>
ROKNCKQMECSPFV-NRFANRHFSA-N

