
 SCHEMBL14061568

 53 56  0  0  0  0  0  0  0  0999 V2000
    1.3353    1.9946    4.1643 C   0  0  0  0  0
    1.8377    3.0633    3.2426 C   0  0  0  0  0
    2.9928    2.8736    2.4804 C   0  0  0  0  0
    3.3984    3.8859    1.6231 C   0  0  0  0  0
    2.7330    5.0496    1.4682 N   0  0  0  0  0
    1.6140    5.2076    2.2047 C   0  0  0  0  0
    1.1297    4.2562    3.0893 C   0  0  0  0  0
    4.5444    3.6474    0.8915 O   0  0  0  0  0
    4.9264    4.7626    0.0738 C   0  0  0  0  0
    6.1788    4.3792   -0.7327 C   0  0  0  0  0
    6.5371    5.4514   -1.7820 C   0  0  0  0  0
    7.0587    6.6999   -1.1733 N   0  0  0  0  0
    8.2189    6.3449   -0.3281 C   0  0  0  0  0
    7.8660    5.2646    0.7083 C   0  0  0  0  0
    7.3232    4.0896    0.0980 O   0  0  0  0  0
    7.4249    7.6456   -2.2514 C   0  0  0  0  0
    7.8980    9.0429   -1.7901 C   0  0  0  0  0
    8.2353    9.8495   -2.9577 N   0  0  0  0  0
    9.5500   10.4911   -3.0694 C   0  0  0  0  0
    9.4685   11.4686   -4.2570 C   0  0  0  0  0
    7.9960   11.7104   -4.3123 C   0  0  0  0  0
    7.3097   12.6728   -5.0354 C   0  0  0  0  0
    5.9186   12.6866   -4.9518 C   0  0  0  0  0
    5.2466   11.7442   -4.1599 C   0  0  0  0  0
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    3.5732    1.9599    2.5472 H   0  0  0  0  0
    1.0952    6.1505    2.0588 H   0  0  0  0  0
    0.2178    4.4471    3.6456 H   0  0  0  0  0
    5.1186    5.6334    0.7101 H   0  0  0  0  0
    4.1165    4.9944   -0.6302 H   0  0  0  0  0
    5.9633    3.4413   -1.2590 H   0  0  0  0  0
    5.6488    5.6744   -2.3858 H   0  0  0  0  0
    7.2957    5.0314   -2.4570 H   0  0  0  0  0
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    7.1710    5.6469    1.4634 H   0  0  0  0  0
    6.5433    7.7911   -2.8894 H   0  0  0  0  0
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    8.7931    8.9373   -1.1667 H   0  0  0  0  0
    7.1382    9.5288   -1.1655 H   0  0  0  0  0
   10.3414    9.7490   -3.2222 H   0  0  0  0  0
    9.7768   11.0416   -2.1462 H   0  0  0  0  0
    9.8074   10.9930   -5.1831 H   0  0  0  0  0
   10.0442   12.3785   -4.0674 H   0  0  0  0  0
    7.8360   13.3911   -5.6545 H   0  0  0  0  0
    5.3495   13.4269   -5.5081 H   0  0  0  0  0
    4.1609   11.7635   -4.1051 H   0  0  0  0  0
    5.4186   10.0377   -2.8575 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL14061568

>  <PubChem CID>
71062567

>  <Formula>
C21H27N3O2

>  <Molecular Weight>
353.466000

>  <IUPAC Name>
(2R)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[(4-methylpyridin-2-yl)oxymethyl]morpholine

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC(=NC=C1)OCC2CN(CCO2)CCN3CCC4=CC=CC=C43

>  <Isomeric SMILES>
CC1=CC(=NC=C1)OC[C@H]2CN(CCO2)CCN3CCC4=CC=CC=C43

>  <InChI Std. ID>
InChI=1S/C21H27N3O2/c1-17-6-8-22-21(14-17)26-16-19-15-23(12-13-25-19)10-11-24-9-7-18-4-2-3-5-20(18)24/h2-6,8,14,19H,7,9-13,15-16H2,1H3/t19-/m1/s1

>  <InChI Key>
XEESQZOHNMFSPW-LJQANCHMSA-N

