
 SCHEMBL14149621

 53 56  0  0  0  0  0  0  0  0999 V2000
    4.6088    4.7206    4.1458 C   0  0  0  0  0
    5.3346    3.7673    3.2451 C   0  0  0  0  0
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    8.2550   -1.7878   -1.2838 N   0  0  0  0  0
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    7.7028   -0.3004   -3.2003 C   0  0  0  0  0
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    9.4269    1.4111   -0.9788 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL14149621

>  <PubChem CID>
71086301

>  <Formula>
C21H27N3O2

>  <Molecular Weight>
353.466000

>  <IUPAC Name>
(2R)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[(6-methylpyridin-3-yl)oxymethyl]morpholine

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C21H27N3O2/c1-17-6-7-19(14-22-17)26-16-20-15-23(12-13-25-20)10-11-24-9-8-18-4-2-3-5-21(18)24/h2-7,14,20H,8-13,15-16H2,1H3/t20-/m1/s1

>  <InChI Key>
DQFUJEZGAUMKKT-HXUWFJFHSA-N

