
 CHEMBL439346

 52 54  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL439346

>  <PubChem CID>
49797189

>  <Formula>
C22H24ClNO4

>  <Molecular Weight>
401.887000

>  <IUPAC Name>
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(2-methoxynaphthalen-1-yl)oxyethanamine;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=C(C2=CC=CC=C2C=C1)OCCNCC3COC4=CC=CC=C4O3.Cl

>  <Isomeric SMILES>
COC1=C(C2=CC=CC=C2C=C1)OCCNC[C@@H]3COC4=CC=CC=C4O3.Cl

>  <InChI Std. ID>
InChI=1S/C22H23NO4.ClH/c1-24-21-11-10-16-6-2-3-7-18(16)22(21)25-13-12-23-14-17-15-26-19-8-4-5-9-20(19)27-17;/h2-11,17,23H,12-15H2,1H3;1H/t17-;/m1./s1

>  <InChI Key>
JQLOQIYDEYNBTQ-UNTBIKODSA-N

