
 CHEMBL491648

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M  END

>  <Chemical Name>
CHEMBL491648

>  <PubChem CID>
42625656

>  <Formula>
C23H27ClFN3O4

>  <Molecular Weight>
463.934000

>  <IUPAC Name>
2-[4-[[(2-fluorobenzoyl)amino]methyl]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
COC1=CC(=C(C=C1C(=O)OCCN2CCC(CC2)CNC(=O)C3=CC=CC=C3F)Cl)N

>  <Isomeric SMILES>
COC1=CC(=C(C=C1C(=O)OCCN2CCC(CC2)CNC(=O)C3=CC=CC=C3F)Cl)N

>  <InChI Std. ID>
InChI=1S/C23H27ClFN3O4/c1-31-21-13-20(26)18(24)12-17(21)23(30)32-11-10-28-8-6-15(7-9-28)14-27-22(29)16-4-2-3-5-19(16)25/h2-5,12-13,15H,6-11,14,26H2,1H3,(H,27,29)

>  <InChI Key>
CMAVIOKAKYRBBU-UHFFFAOYSA-N

