
 CHEMBL1951056

 55 57  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1951056

>  <PubChem CID>
49857812

>  <Formula>
C20H30N2O3

>  <Molecular Weight>
346.471000

>  <IUPAC Name>
1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1CCCN1CCCOC2=CC=C(C=C2)C(=O)CN3CCOCC3

>  <Isomeric SMILES>
C[C@H]1CCCN1CCCOC2=CC=C(C=C2)C(=O)CN3CCOCC3

>  <InChI Std. ID>
InChI=1S/C20H30N2O3/c1-17-4-2-9-22(17)10-3-13-25-19-7-5-18(6-8-19)20(23)16-21-11-14-24-15-12-21/h5-8,17H,2-4,9-16H2,1H3/t17-/m0/s1

>  <InChI Key>
AYHCJXIBRDMYBV-KRWDZBQOSA-N

