
 CHEMBL3897835

 53 56  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3897835

>  <PubChem CID>
71618702

>  <Formula>
C22H25ClN2O3

>  <Molecular Weight>
400.903000

>  <IUPAC Name>
2-[(2S)-2-[(3-chlorophenoxy)methyl]morpholin-4-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1CC2=CC=CC=C2N1C(=O)CN3CCOC(C3)COC4=CC(=CC=C4)Cl

>  <Isomeric SMILES>
CC1CC2=CC=CC=C2N1C(=O)CN3CCO[C@@H](C3)COC4=CC(=CC=C4)Cl

>  <InChI Std. ID>
InChI=1S/C22H25ClN2O3/c1-16-11-17-5-2-3-8-21(17)25(16)22(26)14-24-9-10-27-20(13-24)15-28-19-7-4-6-18(23)12-19/h2-8,12,16,20H,9-11,13-15H2,1H3/t16?,20-/m0/s1

>  <InChI Key>
XRYWJXIFEBMFIK-FZCLLLDFSA-N

