CDK     1030232201

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.1435    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1435    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2870   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2870   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0014    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0014   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7159   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7159   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1435   -1.6500    0.0000 O   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 
  2  4  1  0  0  0  0 
  3  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  6  8  1  0  0  0  0 
  7  9  2  0  0  0  0 
  7 10  1  0  0  0  0 
  8 11  2  0  0  0  0 
  8 12  1  0  0  0  0 
  9 13  1  0  0  0  0 
 10 14  2  0  0  0  0 
 11 15  1  0  0  0  0 
 12 16  2  0  0  0  0 
 13 17  2  0  0  0  0 
 15 18  2  0  0  0  0 
 18 19  1  0  0  0  0 
 14 17  1  0  0  0  0 
 16 18  1  0  0  0  0 
M  END
> <ID>
CHEBI:211911

> <NAME>
Hypoxypropanamide

> <STAR>
2

> <IUPAC_NAME>
N-benzyl-3-(4-hydroxyphenyl)propanamide

> <FORMULA>
C16H17NO2

> <MASS>
255.317

> <MONOISOTOPIC_MASS>
255.12593

> <CHARGE>
0

> <SMILES>
O=C(NCC1=CC=CC=C1)CCC2=CC=C(O)C=C2

> <INCHI>
InChI=1S/C16H17NO2/c18-15-9-6-13(7-10-15)8-11-16(19)17-12-14-4-2-1-3-5-14/h1-7,9-10,18H,8,11-12H2,(H,17,19)

> <INCHIKEY>
OSPJHCUBEDDXIQ-UHFFFAOYSA-N

$$$$