5369459
  CDK     0602212311

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.7935    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    2.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    2.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    3.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    3.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    3.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -2.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -3.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -3.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -3.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0 
  1 12  1  0  0  0  0 
  2 12  2  0  0  0  0 
  3  4  1  0  0  0  0 
  3  5  1  0  0  0  0 
  4  6  2  0  0  0  0 
  4  7  1  0  0  0  0 
  6  8  1  0  0  0  0 
  7  9  2  0  0  0  0 
  8 10  2  0  0  0  0 
  9 10  1  0  0  0  0 
 11 13  1  0  0  0  0 
 11 15  2  0  0  0  0 
 11 16  1  0  0  0  0 
 12 14  1  0  0  0  0 
 13 14  2  0  0  0  0 
 15 17  1  0  0  0  0 
 16 18  2  0  0  0  0 
 17 19  2  0  0  0  0 
 18 19  1  0  0  0  0 
M  END
> <ID>
CHEBI:174332

> <NAME>
2-Phenylethyl 3-phenyl-2-propenoate

> <STAR>
2

> <IUPAC_NAME>
2-phenylethyl (E)-3-phenylprop-2-enoate

> <FORMULA>
C17H16O2

> <MASS>
252.313

> <MONOISOTOPIC_MASS>
252.11503

> <CHARGE>
0

> <SMILES>
O(CCC1=CC=CC=C1)C(=O)\C=C\C2=CC=CC=C2

> <INCHI>
InChI=1S/C17H16O2/c18-17(12-11-15-7-3-1-4-8-15)19-14-13-16-9-5-2-6-10-16/h1-12H,13-14H2/b12-11+

> <INCHIKEY>
MJQVZIANGRDJBT-VAWYXSNFSA-N

> <CAS_REGISTRY_NUMBER>
103-53-7

> <CHEMIDPLUS>
103-53-7

$$$$