
 CHEMBL292957

 84 89  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL292957

>  <PubChem CID>
44303653

>  <Formula>
C34H43N3O4

>  <Molecular Weight>
557.735000

>  <IUPAC Name>
2-adamantyl N-[3-[2-[(dimethylamino)methyl]-1-benzofuran-3-yl]-2-methyl-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate

>  <XlogP>
6.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(CC1=C(OC2=CC=CC=C21)CN(C)C)(C(=O)NCCC3=CC=CC=C3)NC(=O)OC4C5CC6CC(C5)CC4C6

>  <Isomeric SMILES>
CC(CC1=C(OC2=CC=CC=C21)CN(C)C)(C(=O)NCCC3=CC=CC=C3)NC(=O)OC4C5CC6CC(C5)CC4C6

>  <InChI Std. ID>
InChI=1S/C34H43N3O4/c1-34(32(38)35-14-13-22-9-5-4-6-10-22,20-28-27-11-7-8-12-29(27)40-30(28)21-37(2)3)36-33(39)41-31-25-16-23-15-24(18-25)19-26(31)17-23/h4-12,23-26,31H,13-21H2,1-3H3,(H,35,38)(H,36,39)

>  <InChI Key>
BUEBEWBKGTZUAF-UHFFFAOYSA-N

