
 CHEMBL3187346

 70 73  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3187346

>  <PubChem CID>
60202246

>  <Formula>
C27H35N3O5

>  <Molecular Weight>
481.593000

>  <IUPAC Name>
3,4,5-trimethoxy-N-[9-[2-(4-methylanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC=C(C=C1)NC(=O)CN2C3CCCC2CC(C3)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC

>  <Isomeric SMILES>
CC1=CC=C(C=C1)NC(=O)CN2C3CCCC2CC(C3)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC

>  <InChI Std. ID>
InChI=1S/C27H35N3O5/c1-17-8-10-19(11-9-17)28-25(31)16-30-21-6-5-7-22(30)15-20(14-21)29-27(32)18-12-23(33-2)26(35-4)24(13-18)34-3/h8-13,20-22H,5-7,14-16H2,1-4H3,(H,28,31)(H,29,32)

>  <InChI Key>
BZSNUGWDIOXXKE-UHFFFAOYSA-N

