24 25  0  0  0  0  0  0  0  0999 V2000
    9.8700  -16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8700  -18.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0824  -18.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2949  -18.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2949  -16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0824  -16.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5324  -16.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7449  -16.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9573  -16.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1697  -16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3822  -16.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5946  -16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8070  -16.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5386  -14.7003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9573  -14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1697  -18.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7449  -18.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5513  -18.8891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5515  -20.2891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7641  -20.9889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9576  -20.2996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9574  -18.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7642  -22.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   17.1721  -21.0006    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  1  6  1  0     0  0
  5  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
  7 14  2  0     0  0
  9 15  1  0     0  0
 10 16  2  0     0  0
  8 17  1  0     0  0
 17 18  2  0     0  0
 18 19  1  0     0  0
 19 20  2  0     0  0
 20 21  1  0     0  0
 21 22  2  0     0  0
 17 22  1  0     0  0
 20 23  1  0     0  0
 21 24  1  0     0  0
M  END
> <ID>
CHEBI:82171

> <NAME>
Benzoylprop-ethyl

> <STAR>
2

> <FORMULA>
C18H17Cl2NO3

> <MASS>
366.23800

> <MONOISOTOPIC_MASS>
365.05855

> <CHARGE>
0

> <SMILES>
CCOC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1

> <INCHI>
InChI=1S/C18H17Cl2NO3/c1-3-24-18(23)12(2)21(14-9-10-15(19)16(20)11-14)17(22)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3

> <INCHIKEY>
SLCGUGMPSUYJAY-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
33878-50-1

> <KEGG_COMPOUND_ACCESSION>
C19044

$$$$