
 MLS001116287

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M  END

>  <Chemical Name>
MLS001116287

>  <PubChem CID>
16438224

>  <Formula>
C23H29ClN2O3

>  <Molecular Weight>
416.946000

>  <IUPAC Name>
2-(4-chloro-3-methylphenoxy)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(C=CC(=C1)OCC(=O)NCC(C2=CC=C(C=C2)OC)N3CCCCC3)Cl

>  <Isomeric SMILES>
CC1=C(C=CC(=C1)OCC(=O)NCC(C2=CC=C(C=C2)OC)N3CCCCC3)Cl

>  <InChI Std. ID>
InChI=1S/C23H29ClN2O3/c1-17-14-20(10-11-21(17)24)29-16-23(27)25-15-22(26-12-4-3-5-13-26)18-6-8-19(28-2)9-7-18/h6-11,14,22H,3-5,12-13,15-16H2,1-2H3,(H,25,27)

>  <InChI Key>
CRAOTSUSWDADJO-UHFFFAOYSA-N

