
 CHEMBL493283

 60 63  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL493283

>  <PubChem CID>
44568917

>  <Formula>
C26H29NO4

>  <Molecular Weight>
419.521000

>  <IUPAC Name>
N-[[(2R)-5,5-diphenyl-1,4-dioxan-2-yl]methyl]-2-(2-methoxyphenoxy)ethanamine

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=CC=CC=C1OCCNCC2COC(CO2)(C3=CC=CC=C3)C4=CC=CC=C4

>  <Isomeric SMILES>
COC1=CC=CC=C1OCCNC[C@@H]2COC(CO2)(C3=CC=CC=C3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C26H29NO4/c1-28-24-14-8-9-15-25(24)29-17-16-27-18-23-19-31-26(20-30-23,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,27H,16-20H2,1H3/t23-/m1/s1

>  <InChI Key>
DSZAPUPSEUYRJU-HSZRJFAPSA-N

