170384
  CDK     0602212311

 24 25  0  0  0  0  0  0  0  0999 V2000
    5.6004   -0.7144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8379    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1306   -0.2482    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3629    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1879    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5379    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3629   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3629    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7626    0.2822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6004    0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6194    1.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6484   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0774    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0774   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6484    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4254    0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6484   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0774    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0774   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6484    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4254   -0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3629   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3629    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8379   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0 
  1 21  1  0  0  0  0 
  2 21  2  0  0  0  0 
  3  9  1  0  0  0  0 
  4  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  4  7  1  0  0  0  0 
  4  8  1  0  0  0  0 
  5 10  1  0  0  0  0 
  6  9  1  0  0  0  0 
  7 12  2  0  0  0  0 
  7 14  1  0  0  0  0 
  8 13  2  0  0  0  0 
  8 15  1  0  0  0  0 
  9 11  1  0  0  0  0 
 10 16  1  0  0  0  0 
 12 17  1  0  0  0  0 
 13 18  1  0  0  0  0 
 14 19  2  0  0  0  0 
 15 20  2  0  0  0  0 
 17 22  2  0  0  0  0 
 18 23  2  0  0  0  0 
 19 22  1  0  0  0  0 
 20 23  1  0  0  0  0 
 21 24  1  0  0  0  0 
M  END
> <ID>
CHEBI:174364

> <NAME>
dinor-Levomethadyl acetate

> <STAR>
2

> <IUPAC_NAME>
(6-amino-4,4-diphenylheptan-3-yl) acetate

> <FORMULA>
C21H27NO2

> <MASS>
325.452

> <MONOISOTOPIC_MASS>
325.20418

> <CHARGE>
0

> <SMILES>
O(C(C(CC(N)C)(C1=CC=CC=C1)C2=CC=CC=C2)CC)C(=O)C

> <INCHI>
InChI=1S/C21H27NO2/c1-4-20(24-17(3)23)21(15-16(2)22,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,16,20H,4,15,22H2,1-3H3

> <INCHIKEY>
FYQILXMAOLDNOY-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
40488-01-5

> <CHEMIDPLUS>
40488-01-5

$$$$