
 CHEMBL1770331

 40 43  0  0  0  0  0  0  0  0999 V2000
    1.1204    1.2232    0.4365 C   0  0  0  0  0
    2.4255    0.5047    0.1020 C   0  0  0  0  0
    3.5850    1.0296    0.9380 C   0  0  0  0  0
    3.8927    2.1860    1.1798 O   0  0  0  0  0
    4.2028   -0.0408    1.4836 N   0  0  0  0  0
    3.3805   -1.0960    1.4477 C   0  0  0  0  0
    3.5224   -2.1245    2.0864 O   0  0  0  0  0
    2.3141   -0.8392    0.6454 O   0  0  0  0  0
    2.7326    0.4485   -1.3921 C   0  0  0  0  0
    2.9838    1.6054   -2.1384 C   0  0  0  0  0
    3.2892    1.5537   -3.5040 C   0  0  0  0  0
    3.3431    0.3300   -4.1896 C   0  0  0  0  0
    3.0778   -0.8312   -3.4491 C   0  0  0  0  0
    2.7802   -0.7753   -2.0807 C   0  0  0  0  0
    3.6582    0.2663   -5.6335 C   0  0  0  0  0
    4.5117   -0.7255   -6.1526 C   0  0  0  0  0
    4.8108   -0.8109   -7.5261 C   0  0  0  0  0
    5.6496   -1.8167   -8.0350 C   0  0  0  0  0
    5.9337   -1.8881   -9.3999 C   0  0  0  0  0
    5.3876   -0.9527  -10.2734 C   0  0  0  0  0
    4.5531    0.0531   -9.7841 C   0  0  0  0  0
    4.2536    0.1334   -8.4141 C   0  0  0  0  0
    3.4089    1.1288   -7.9068 C   0  0  0  0  0
    3.1127    1.1884   -6.5404 C   0  0  0  0  0
    2.9218    2.8169   -1.5140 O   0  0  0  0  0
    0.8980    1.1467    1.5078 H   0  0  0  0  0
    0.2767    0.7649   -0.0923 H   0  0  0  0  0
    1.1446    2.2872    0.1842 H   0  0  0  0  0
    4.9422    0.0373    2.1601 H   0  0  0  0  0
    3.4955    2.4752   -4.0426 H   0  0  0  0  0
    3.0843   -1.8059   -3.9346 H   0  0  0  0  0
    2.5790   -1.7149   -1.5682 H   0  0  0  0  0
    4.9639   -1.4474   -5.4743 H   0  0  0  0  0
    6.0859   -2.5579   -7.3690 H   0  0  0  0  0
    6.5807   -2.6747   -9.7795 H   0  0  0  0  0
    5.6087   -1.0060  -11.3363 H   0  0  0  0  0
    4.1344    0.7745  -10.4821 H   0  0  0  0  0
    2.9637    1.8643   -8.5732 H   0  0  0  0  0
    2.4307    1.9628   -6.1956 H   0  0  0  0  0
    3.2055    3.5180   -2.1243 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  8  1  0  0  0
  2  3  1  0  0  0
  2  9  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 25  1  0  0  0
 11 12  2  0  0  0
 11 30  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 31  1  0  0  0
 14 32  1  0  0  0
 15 24  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 16 33  1  0  0  0
 17 22  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 18 34  1  0  0  0
 19 20  2  0  0  0
 19 35  1  0  0  0
 20 21  1  0  0  0
 20 36  1  0  0  0
 21 22  2  0  0  0
 21 37  1  0  0  0
 22 23  1  0  0  0
 23 24  2  0  0  0
 23 38  1  0  0  0
 24 39  1  0  0  0
 25 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1770331

>  <PubChem CID>
54583738

>  <Formula>
C20H15NO4

>  <Molecular Weight>
333.343000

>  <IUPAC Name>
5-(2-hydroxy-4-naphthalen-2-ylphenyl)-5-methyl-1,3-oxazolidine-2,4-dione

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1(C(=O)NC(=O)O1)C2=C(C=C(C=C2)C3=CC4=CC=CC=C4C=C3)O

>  <Isomeric SMILES>
CC1(C(=O)NC(=O)O1)C2=C(C=C(C=C2)C3=CC4=CC=CC=C4C=C3)O

>  <InChI Std. ID>
InChI=1S/C20H15NO4/c1-20(18(23)21-19(24)25-20)16-9-8-15(11-17(16)22)14-7-6-12-4-2-3-5-13(12)10-14/h2-11,22H,1H3,(H,21,23,24)

>  <InChI Key>
BWJWCBNWYFEMOZ-UHFFFAOYSA-N

