
 CHEMBL3942898

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

>  <Chemical Name>
CHEMBL3942898

>  <PubChem CID>
71061611

>  <Formula>
C21H25FN2O2

>  <Molecular Weight>
356.441000

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

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C21H25FN2O2/c22-18-5-7-19(8-6-18)26-16-20-15-23(13-14-25-20)11-12-24-10-9-17-3-1-2-4-21(17)24/h1-8,20H,9-16H2/t20-/m0/s1

>  <InChI Key>
RTXIZQIIOLWLRO-FQEVSTJZSA-N

