
 CHEMBL2205829

 42 49  0  0  0  0  0  0  0  0999 V2000
   -2.0208   -0.0626   -1.3177 C   0  0  0  0  0
   -1.2728    1.3076   -0.5185 C   0  0  0  0  0
   -1.5359    0.7744    0.7912 C   0  0  0  0  0
   -1.4509   -0.8041    0.8499 C   0  0  0  0  0
   -1.2561   -1.2709   -0.5542 C   0  0  0  0  0
    0.3795   -1.0514   -0.5767 C   0  0  0  0  0
    0.5110    0.9148    0.1254 C   0  0  0  0  0
    1.6300    0.7786   -0.7515 C   0  0  0  0  0
   -0.0988    0.7222   -0.3936 C   0  0  0  0  0
    0.0301   -0.6629    1.1681 C   0  0  0  0  0
    1.2196   -1.3071    0.5431 C   0  0  0  0  0
    2.3137   -0.4063    0.0340 N   0  0  0  0  0
    3.2037    0.0793    1.0959 C   0  0  0  0  0
    4.0263   -1.0231    1.7275 C   0  0  0  0  0
    5.1656   -1.5234    1.0755 C   0  0  0  0  0
    5.8681   -2.5413    1.6863 C   0  0  0  0  0
    5.4766   -3.0718    2.8930 C   0  0  0  0  0
    4.3614   -2.6150    3.5591 C   0  0  0  0  0
    3.6320   -1.5799    2.9680 C   0  0  0  0  0
    6.3004   -4.0676    3.3155 O   0  0  0  0  0
    7.2517   -4.1087    2.2324 C   0  0  0  0  0
    6.9897   -3.1370    1.1986 O   0  0  0  0  0
    1.4695   -2.6487    0.7537 O   0  0  0  0  0
   -3.0935   -0.0626   -1.0908 H   0  0  0  0  0
   -1.8457   -0.0587   -2.3986 H   0  0  0  0  0
   -1.5711    2.3461   -0.7385 H   0  0  0  0  0
   -1.3763    1.3584    1.7031 H   0  0  0  0  0
   -2.0820   -1.3357    1.5589 H   0  0  0  0  0
   -1.5822   -2.2848   -0.7868 H   0  0  0  0  0
    0.7858   -1.2226   -1.5953 H   0  0  0  0  0
    0.8012    1.2805    1.2010 H   0  0  0  0  0
    2.1241    1.7533   -0.6945 H   0  0  0  0  0
   -0.1100    0.5221   -1.6796 H   0  0  0  0  0
    0.2114   -0.3166    2.2011 H   0  0  0  0  0
    2.6684    0.6201    1.8842 H   0  0  0  0  0
    3.9083    0.8043    0.6674 H   0  0  0  0  0
    5.4862   -1.1287    0.1173 H   0  0  0  0  0
    4.0561   -3.0501    4.5034 H   0  0  0  0  0
    2.7368   -1.2146    3.4682 H   0  0  0  0  0
    8.2530   -3.9271    2.6395 H   0  0  0  0  0
    7.2305   -5.1095    1.7858 H   0  0  0  0  0
    2.3792   -2.7743    0.4311 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4 10  1  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  6 11  1  0  0  0
  6  7  1  0  0  0
  6 30  1  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
  8 12  1  0  0  0
  8 32  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
 10 11  1  0  0  0
 10 34  1  0  0  0
 11 12  1  0  0  0
 11 23  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 13 36  1  0  0  0
 14 19  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 37  1  0  0  0
 16 22  1  0  0  0
 16 17  2  0  0  0
 17 20  1  0  0  0
 17 18  1  0  0  0
 18 19  2  0  0  0
 18 38  1  0  0  0
 19 39  1  0  0  0
 20 21  1  0  0  0
 21 22  1  0  0  0
 21 40  1  0  0  0
 21 41  1  0  0  0
 23 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2205829

>  <PubChem CID>
71452387

>  <Formula>
C19H19NO3

>  <Molecular Weight>
309.365000

>  <IUPAC Name>


>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1C2C3C4C1C5C2C6C3C4C5(N6CC7=CC8=C(C=C7)OCO8)O

>  <Isomeric SMILES>
C1C2C3C4C1C5C2C6C3C4C5(N6CC7=CC8=C(C=C7)OCO8)O

>  <InChI Std. ID>
InChI=1S/C19H19NO3/c21-19-16-9-4-8-12-13(9)17(19)15(12)18(14(8)16)20(19)5-7-1-2-10-11(3-7)23-6-22-10/h1-3,8-9,12-18,21H,4-6H2

>  <InChI Key>
AVNYJOIRGGOFFW-UHFFFAOYSA-N

