etoxadrol
  CDK     0223171734
null
 21 23  0  0  0  0  0  0  0  0999 V2000
    1.3204   -2.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3204   -3.7299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6797   -2.3870    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0266   -1.8813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4135   -3.1587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3941   -1.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6571   -2.3870    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4176   -3.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3941   -1.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1106   -2.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3961   -3.0072    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1106   -0.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8230   -1.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3941   -3.8302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1085   -2.5937    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8230   -1.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1085   -4.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8230   -3.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8230   -3.8322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1873   -1.7544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6817   -3.4187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  3  1  1  6  0  0  0 
  3  4  1  0  0  0  0 
  3  5  1  0  0  0  0 
  3  6  1  0  0  0  0 
  7  4  1  0  0  0  0 
  5  8  1  0  0  0  0 
  6  9  2  0  0  0  0 
  6 10  1  0  0  0  0 
  7  8  1  0  0  0  0 
 11  7  1  0  0  0  0 
  7 20  1  1  0  0  0 
  9 12  1  0  0  0  0 
 10 13  2  0  0  0  0 
 11 14  1  0  0  0  0 
 11 15  1  0  0  0  0 
 11 21  1  1  0  0  0 
 12 16  2  0  0  0  0 
 13 16  1  0  0  0  0 
 14 17  1  0  0  0  0 
 15 18  1  0  0  0  0 
 17 19  1  0  0  0  0 
 18 19  1  0  0  0  0 
M  END
> <ID>
CHEBI:135073

> <NAME>
etoxadrol

> <STAR>
2

> <SYNONYM>
etoxadrol hydrochloride; etoxadrol HCl

> <FORMULA>
C16H23NO2

> <MASS>
261.360

> <MONOISOTOPIC_MASS>
261.17288

> <CHARGE>
0

> <SMILES>
C(C)[C@]1(O[C@](CO1)([C@@]2(CCCCN2)[H])[H])C3=CC=CC=C3

> <INCHI>
InChI=1S/C16H23NO2/c1-2-16(13-8-4-3-5-9-13)18-12-15(19-16)14-10-6-7-11-17-14/h3-5,8-9,14-15,17H,2,6-7,10-12H2,1H3/t14-,15+,16-/m0/s1

> <INCHIKEY>
INOYCBNLWYEPSB-XHSDSOJGSA-N

> <CAS_REGISTRY_NUMBER>
28189-85-7

$$$$