
 SCHEMBL14061868

 53 56  0  0  0  0  0  0  0  0999 V2000
    2.5543    5.2235    2.6867 C   0  0  0  0  0
    3.5478    4.1402    2.3767 C   0  0  0  0  0
    3.2821    3.1934    1.3775 C   0  0  0  0  0
    4.2523    2.2254    1.1263 C   0  0  0  0  0
    5.4329    2.2238    1.8667 C   0  0  0  0  0
    5.6063    3.1952    2.8362 C   0  0  0  0  0
    4.6954    4.1515    3.1052 N   0  0  0  0  0
    2.0738    3.2844    0.7489 O   0  0  0  0  0
    1.8589    2.4852   -0.4169 C   0  0  0  0  0
    0.4308    2.7407   -0.9244 C   0  0  0  0  0
    0.1769    4.2103   -1.3225 C   0  0  0  0  0
    0.7980    4.5884   -2.6175 N   0  0  0  0  0
    0.3366    3.6369   -3.6449 C   0  0  0  0  0
    0.6554    2.1889   -3.2371 C   0  0  0  0  0
    0.0580    1.8386   -1.9836 O   0  0  0  0  0
    0.4166    5.9837   -2.9257 C   0  0  0  0  0
    0.9754    6.5953   -4.2321 C   0  0  0  0  0
    0.5862    7.9954   -4.2913 N   0  0  0  0  0
   -0.7513    8.4019   -4.7371 C   0  0  0  0  0
   -0.7666    9.9416   -4.7338 C   0  0  0  0  0
    0.6950   10.2327   -4.8430 C   0  0  0  0  0
    1.3071   11.4521   -5.0849 C   0  0  0  0  0
    2.6997   11.4938   -5.0931 C   0  0  0  0  0
    3.4431   10.3296   -4.8553 C   0  0  0  0  0
    2.8053    9.1104   -4.5909 C   0  0  0  0  0
    1.4231    9.0625   -4.5868 C   0  0  0  0  0
    2.3855    5.8476    1.8027 H   0  0  0  0  0
    2.9220    5.8710    3.4904 H   0  0  0  0  0
    1.6040    4.7894    3.0113 H   0  0  0  0  0
    4.1170    1.4566    0.3740 H   0  0  0  0  0
    6.1992    1.4758    1.6937 H   0  0  0  0  0
    6.5081    3.2313    3.4404 H   0  0  0  0  0
    1.9479    1.4193   -0.1732 H   0  0  0  0  0
    2.6012    2.7320   -1.1850 H   0  0  0  0  0
   -0.2493    2.5207   -0.0918 H   0  0  0  0  0
    0.5359    4.8770   -0.5300 H   0  0  0  0  0
   -0.9110    4.3518   -1.3934 H   0  0  0  0  0
   -0.7464    3.7375   -3.7938 H   0  0  0  0  0
    0.8321    3.8365   -4.6007 H   0  0  0  0  0
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    1.7365    2.0171   -3.1900 H   0  0  0  0  0
    0.7703    6.6171   -2.1008 H   0  0  0  0  0
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    0.5811    6.0697   -5.1085 H   0  0  0  0  0
    2.0626    6.4703   -4.2433 H   0  0  0  0  0
   -1.5360    8.0029   -4.0860 H   0  0  0  0  0
   -0.9331    8.0266   -5.7524 H   0  0  0  0  0
   -1.1562   10.3275   -3.7856 H   0  0  0  0  0
   -1.3468   10.3409   -5.5698 H   0  0  0  0  0
    0.7229   12.3493   -5.2491 H   0  0  0  0  0
    3.2125   12.4359   -5.2739 H   0  0  0  0  0
    4.5301   10.3770   -4.8578 H   0  0  0  0  0
    3.4026    8.2319   -4.3868 H   0  0  0  0  0
  1  2  1  0  0  0
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  6 32  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
  9 34  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL14061868

>  <PubChem CID>
71062790

>  <Formula>
C21H27N3O2

>  <Molecular Weight>
353.466000

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

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(C=CC=N1)OCC2CN(CCO2)CCN3CCC4=CC=CC=C43

>  <Isomeric SMILES>
CC1=C(C=CC=N1)OC[C@H]2CN(CCO2)CCN3CCC4=CC=CC=C43

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

>  <InChI Key>
DYMQPSSXRFHPQS-LJQANCHMSA-N

