
 CHEMBL2392150

 37 39  0  0  0  0  0  0  0  0999 V2000
    7.5221   -0.1179   -3.6488 C   0  0  0  0  0
    6.5514    0.6416   -3.0004 C   0  0  0  0  0
    6.1611    0.3150   -1.7005 C   0  0  0  0  0
    6.7322   -0.7808   -1.0357 C   0  0  0  0  0
    7.7295   -1.5187   -1.6901 C   0  0  0  0  0
    8.1124   -1.1957   -2.9933 C   0  0  0  0  0
    6.3227   -1.0744    0.3895 C   0  0  0  0  0
    6.4210   -2.5350    0.8000 C   0  0  0  0  0
    7.2366   -2.8895    1.6470 O   0  0  0  0  0
    5.5058   -3.3512    0.1557 N   0  0  0  0  0
    5.3495   -4.7506    0.3010 C   0  0  0  0  0
    6.2084   -5.5426    1.0719 C   0  0  0  0  0
    6.0050   -6.9220    1.1870 C   0  0  0  0  0
    4.9365   -7.5282    0.5345 C   0  0  0  0  0
    4.0765   -6.7480   -0.2401 C   0  0  0  0  0
    4.2783   -5.3718   -0.3663 C   0  0  0  0  0
    3.4431   -4.5785   -1.1229 O   0  0  0  0  0
    2.3642   -5.1717   -1.7600 C   0  0  0  0  0
    2.0697   -6.4772   -1.7075 C   0  0  0  0  0
    2.9345   -7.3691   -0.9266 C   0  0  0  0  0
    2.7001   -8.5676   -0.8561 O   0  0  0  0  0
    1.4580   -4.3142   -2.5603 C   0  0  0  0  0
    0.4738   -4.6741   -3.1836 O   0  0  0  0  0
    1.8368   -3.0244   -2.5364 O   0  0  0  0  0
    7.8287    0.1377   -4.6596 H   0  0  0  0  0
    6.1051    1.4954   -3.5036 H   0  0  0  0  0
    5.4145    0.9326   -1.2051 H   0  0  0  0  0
    8.2280   -2.3498   -1.1936 H   0  0  0  0  0
    8.8814   -1.7802   -3.4923 H   0  0  0  0  0
    5.2874   -0.7542    0.5622 H   0  0  0  0  0
    6.9586   -0.4851    1.0616 H   0  0  0  0  0
    4.8633   -2.9057   -0.4937 H   0  0  0  0  0
    7.0603   -5.1197    1.5962 H   0  0  0  0  0
    6.6851   -7.5186    1.7915 H   0  0  0  0  0
    4.7760   -8.6000    0.6317 H   0  0  0  0  0
    1.2212   -6.9277   -2.2089 H   0  0  0  0  0
    1.1713   -2.5739   -3.0981 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  3  4  2  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 28  1  0  0  0
  6 29  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
 10 32  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 33  1  0  0  0
 13 14  2  0  0  0
 13 34  1  0  0  0
 14 15  1  0  0  0
 14 35  1  0  0  0
 15 20  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 18 19  2  0  0  0
 18 22  1  0  0  0
 19 20  1  0  0  0
 19 36  1  0  0  0
 20 21  2  0  0  0
 22 24  1  0  0  0
 22 23  2  0  0  0
 24 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2392150

>  <PubChem CID>
71734945

>  <Formula>
C18H13NO5

>  <Molecular Weight>
323.304000

>  <IUPAC Name>
4-oxo-8-[(2-phenylacetyl)amino]chromene-2-carboxylic acid

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC=C(C=C1)CC(=O)NC2=CC=CC3=C2OC(=CC3=O)C(=O)O

>  <Isomeric SMILES>
C1=CC=C(C=C1)CC(=O)NC2=CC=CC3=C2OC(=CC3=O)C(=O)O

>  <InChI Std. ID>
InChI=1S/C18H13NO5/c20-14-10-15(18(22)23)24-17-12(14)7-4-8-13(17)19-16(21)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,19,21)(H,22,23)

>  <InChI Key>
CINUWZRGRGQLJV-UHFFFAOYSA-N

