
 CHEMBL3946661

 51 54  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3946661

>  <PubChem CID>
71062646

>  <Formula>
C21H26N2O2

>  <Molecular Weight>
338.451000

>  <IUPAC Name>
(2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(phenoxymethyl)morpholine

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(C2=CC=CC=C21)CCN3CCOC(C3)COC4=CC=CC=C4

>  <Isomeric SMILES>
C1CN(C2=CC=CC=C21)CCN3CCO[C@@H](C3)COC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C21H26N2O2/c1-2-7-19(8-3-1)25-17-20-16-22(14-15-24-20)12-13-23-11-10-18-6-4-5-9-21(18)23/h1-9,20H,10-17H2/t20-/m0/s1

>  <InChI Key>
ZKTUDHGKQCWRDH-FQEVSTJZSA-N

