
 CHEMBL59859

 68 73  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL59859

>  <PubChem CID>
44303651

>  <Formula>
C29H34N2O3

>  <Molecular Weight>
458.602000

>  <IUPAC Name>
2-adamantyl N-[2-(2-phenylethylcarbamoyl)-1,3-dihydroinden-2-yl]carbamate

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1C2CC3CC1CC(C2)C3OC(=O)NC4(CC5=CC=CC=C5C4)C(=O)NCCC6=CC=CC=C6

>  <Isomeric SMILES>
C1C2CC3CC1CC(C2)C3OC(=O)NC4(CC5=CC=CC=C5C4)C(=O)NCCC6=CC=CC=C6

>  <InChI Std. ID>
InChI=1S/C29H34N2O3/c32-27(30-11-10-19-6-2-1-3-7-19)29(17-22-8-4-5-9-23(22)18-29)31-28(33)34-26-24-13-20-12-21(15-24)16-25(26)14-20/h1-9,20-21,24-26H,10-18H2,(H,30,32)(H,31,33)

>  <InChI Key>
FONKERDJIZSXKE-UHFFFAOYSA-N

