
 CHEMBL1774527

 49 52  0  0  0  0  0  0  0  0999 V2000
    2.8519   -2.0057    0.3920 C   0  0  0  0  0
    2.9698   -0.5096    0.2796 C   0  0  0  0  0
    2.1429    0.1772   -0.3097 O   0  0  0  0  0
    4.0898   -0.0046    0.9019 N   0  0  0  0  0
    4.3730    1.4189    0.9495 C   0  0  0  0  0
    4.9055    1.9660   -0.3792 C   0  0  0  0  0
    5.2140    3.4249   -0.3038 C   0  0  0  0  0
    6.4172    4.0488   -0.2550 C   0  0  0  0  0
    6.2906    5.5656   -0.1840 C   0  0  0  0  0
    4.7975    5.7563   -0.1980 C   0  0  0  0  0
    4.1624    4.4990   -0.2883 C   0  0  0  0  0
    2.7756    4.5280   -0.3519 C   0  0  0  0  0
    2.2206    5.8114   -0.2765 C   0  0  0  0  0
    2.8513    7.0366   -0.1505 C   0  0  0  0  0
    4.2238    7.0139   -0.1216 C   0  0  0  0  0
    0.8320    5.7701   -0.3346 O   0  0  0  0  0
    0.4986    4.4017   -0.6857 C   0  0  0  0  0
    1.7273    3.5086   -0.4819 C   0  0  0  0  0
    7.7541    3.4687   -0.2703 C   0  0  0  0  0
    8.4342    3.3064   -1.4794 C   0  0  0  0  0
    9.7560    2.8530   -1.4838 C   0  0  0  0  0
   10.4126    2.5575   -0.2865 C   0  0  0  0  0
    9.7244    2.6941    0.9196 C   0  0  0  0  0
    8.3994    3.1475    0.9271 C   0  0  0  0  0
   11.7113    2.1543   -0.4312 O   0  0  0  0  0
   12.4602    1.9560    0.7613 C   0  0  0  0  0
    2.8282   -2.2971    1.4456 H   0  0  0  0  0
    3.6990   -2.4838   -0.1069 H   0  0  0  0  0
    1.9255   -2.3375   -0.0851 H   0  0  0  0  0
    4.7216   -0.6380    1.3741 H   0  0  0  0  0
    5.1086    1.5684    1.7477 H   0  0  0  0  0
    3.4552    1.9313    1.2524 H   0  0  0  0  0
    4.1906    1.7820   -1.1894 H   0  0  0  0  0
    5.8054    1.4008   -0.6531 H   0  0  0  0  0
    6.7397    6.0488   -1.0578 H   0  0  0  0  0
    6.7151    5.9627    0.7435 H   0  0  0  0  0
    2.2788    7.9533   -0.0943 H   0  0  0  0  0
    4.8196    7.9148   -0.0422 H   0  0  0  0  0
   -0.3457    4.0726   -0.0709 H   0  0  0  0  0
    0.1780    4.3965   -1.7342 H   0  0  0  0  0
    1.6330    2.9351    0.4431 H   0  0  0  0  0
    1.8883    2.8374   -1.3283 H   0  0  0  0  0
    7.9520    3.5537   -2.4224 H   0  0  0  0  0
   10.2851    2.7476   -2.4280 H   0  0  0  0  0
   10.1920    2.4707    1.8725 H   0  0  0  0  0
    7.8850    3.2734    1.8770 H   0  0  0  0  0
   13.4845    1.6986    0.4743 H   0  0  0  0  0
   12.0567    1.1207    1.3425 H   0  0  0  0  0
   12.5039    2.8713    1.3613 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  6 34  1  0  0  0
  7  8  2  0  0  0
  7 11  1  0  0  0
  8 19  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
  9 36  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 18  1  0  0  0
 12 13  2  0  0  0
 13 16  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 37  1  0  0  0
 15 38  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 17 39  1  0  0  0
 17 40  1  0  0  0
 18 41  1  0  0  0
 18 42  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 43  1  0  0  0
 21 22  2  0  0  0
 21 44  1  0  0  0
 22 23  1  0  0  0
 22 25  1  0  0  0
 23 24  2  0  0  0
 23 45  1  0  0  0
 24 46  1  0  0  0
 25 26  1  0  0  0
 26 47  1  0  0  0
 26 48  1  0  0  0
 26 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1774527

>  <PubChem CID>
53238408

>  <Formula>
C22H23NO3

>  <Molecular Weight>
349.430000

>  <IUPAC Name>
N-[2-[7-(4-methoxyphenyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(=O)NCCC1=C(CC2=C1C3=C(C=C2)OCC3)C4=CC=C(C=C4)OC

>  <Isomeric SMILES>
CC(=O)NCCC1=C(CC2=C1C3=C(C=C2)OCC3)C4=CC=C(C=C4)OC

>  <InChI Std. ID>
InChI=1S/C22H23NO3/c1-14(24)23-11-9-18-20(15-3-6-17(25-2)7-4-15)13-16-5-8-21-19(22(16)18)10-12-26-21/h3-8H,9-13H2,1-2H3,(H,23,24)

>  <InChI Key>
CABJAVHFDRCPIL-UHFFFAOYSA-N

