Marvin  08221214532D          

 29 32  0  0  1  0            999 V2000
    9.9962  -34.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9962  -33.2509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1480  -32.5859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2998  -33.2509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2998  -34.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1480  -35.2459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8443  -35.2459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6925  -34.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8443  -32.5859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6925  -33.2509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5647  -32.8399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5647  -34.9919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9757  -31.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4958  -35.9174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3422  -36.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3386  -37.9093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4886  -38.5774    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6422  -37.9155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6458  -36.5856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4850  -39.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3314  -40.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3278  -41.8993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1742  -42.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0241  -41.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0278  -40.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1814  -39.9012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4994  -34.5874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3465  -33.9159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4953  -33.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 28  1  0  0  0  0
 28 12  1  0  0  0  0
  5 12  1  0  0  0  0
 11 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 21 26  1  0  0  0  0
 14 27  1  0  0  0  0
 28 27  1  0  0  0  0
 28 29  1  1  0  0  0
M  END
> <ID>
CHEBI:53292

> <NAME>
(R)-donepezil

> <DEFINITION>
A 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyindan-1-one that has R configuration.

> <STAR>
3

> <IUPAC_NAME>
(2R)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyindan-1-one

> <FORMULA>
C24H29NO3

> <MASS>
379.49200

> <MONOISOTOPIC_MASS>
379.21474

> <CHARGE>
0

> <SMILES>
[H][C@@]1(CC2CCN(CC2)Cc2ccccc2)Cc2cc(OC)c(OC)cc2C1=O

> <INCHI>
InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3/t20-/m1/s1

> <INCHIKEY>
ADEBPBSSDYVVLD-HXUWFJFHSA-N

> <REAXYS_REGISTRY_NUMBER>
7081956

> <PUBMED_CITATION>
23798321

$$$$