
 CHEMBL117617

 49 52  0  0  0  0  0  0  0  0999 V2000
    2.5617   -0.8682   -0.5487 C   0  0  0  0  0
    1.9656    0.4039   -0.3225 O   0  0  0  0  0
    2.8056    1.4864   -0.3080 C   0  0  0  0  0
    4.1992    1.4368   -0.4597 C   0  0  0  0  0
    4.9342    2.6417   -0.4327 C   0  0  0  0  0
    4.2464    3.8300   -0.2533 C   0  0  0  0  0
    2.8686    3.9213   -0.0863 C   0  0  0  0  0
    2.1606    2.7146   -0.1182 C   0  0  0  0  0
    5.1095    4.8754   -0.2567 O   0  0  0  0  0
    6.3738    4.3800   -0.4331 C   0  0  0  0  0
    6.3229    2.9923   -0.5287 C   0  0  0  0  0
    7.4411    2.0059   -0.6489 C   0  0  0  0  0
    7.9492    1.5436    0.7206 C   0  0  0  0  0
    9.0103    0.5586    0.6071 N   0  0  0  0  0
    8.7413   -0.7838    0.4315 C   0  0  0  0  0
    7.5991   -1.2304    0.3500 O   0  0  0  0  0
    9.9703   -1.6658    0.3271 C   0  0  0  0  0
   10.4266   -2.0902    1.6723 C   0  0  0  0  0
    9.7919   -2.5994    2.7871 C   0  0  0  0  0
   10.8036   -2.8519    3.7448 C   0  0  0  0  0
   11.9905   -2.4855    3.1542 C   0  0  0  0  0
   11.7713   -2.0184    1.8985 O   0  0  0  0  0
    7.4185    5.4045   -0.4584 C   0  0  0  0  0
    7.2685    6.5851    0.2880 C   0  0  0  0  0
    8.2482    7.5817    0.2710 C   0  0  0  0  0
    9.3989    7.4123   -0.4928 C   0  0  0  0  0
    9.5622    6.2530   -1.2476 C   0  0  0  0  0
    8.5758    5.2616   -1.2360 C   0  0  0  0  0
    1.7624   -1.6155   -0.5505 H   0  0  0  0  0
    3.2572   -1.1262    0.2565 H   0  0  0  0  0
    3.0542   -0.9060   -1.5262 H   0  0  0  0  0
    4.7314    0.5026   -0.5948 H   0  0  0  0  0
    2.3774    4.8743    0.0619 H   0  0  0  0  0
    1.0798    2.7330    0.0078 H   0  0  0  0  0
    8.2730    2.4176   -1.2263 H   0  0  0  0  0
    7.0980    1.1385   -1.2279 H   0  0  0  0  0
    7.1305    1.1106    1.3074 H   0  0  0  0  0
    8.3533    2.3893    1.2873 H   0  0  0  0  0
    9.9699    0.8593    0.7319 H   0  0  0  0  0
   10.7605   -1.1226   -0.2041 H   0  0  0  0  0
    9.7191   -2.5412   -0.2814 H   0  0  0  0  0
    8.7290   -2.7742    2.8906 H   0  0  0  0  0
   10.6853   -3.2593    4.7390 H   0  0  0  0  0
   13.0224   -2.5009    3.4752 H   0  0  0  0  0
    6.3743    6.7406    0.8896 H   0  0  0  0  0
    8.1063    8.4905    0.8503 H   0  0  0  0  0
   10.1608    8.1870   -0.5097 H   0  0  0  0  0
   10.4523    6.1258   -1.8588 H   0  0  0  0  0
    8.7162    4.3939   -1.8717 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  5  6  2  0  0  0
  5 11  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 33  1  0  0  0
  8 34  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 23  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 35  1  0  0  0
 12 36  1  0  0  0
 13 14  1  0  0  0
 13 37  1  0  0  0
 13 38  1  0  0  0
 14 15  1  0  0  0
 14 39  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  1  0  0  0
 17 40  1  0  0  0
 17 41  1  0  0  0
 18 19  2  0  0  0
 18 22  1  0  0  0
 19 20  1  0  0  0
 19 42  1  0  0  0
 20 21  2  0  0  0
 20 43  1  0  0  0
 21 22  1  0  0  0
 21 44  1  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 24 45  1  0  0  0
 25 26  2  0  0  0
 25 46  1  0  0  0
 26 27  1  0  0  0
 26 47  1  0  0  0
 27 28  2  0  0  0
 27 48  1  0  0  0
 28 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL117617

>  <PubChem CID>
44343188

>  <Formula>
C23H21NO4

>  <Molecular Weight>
375.424000

>  <IUPAC Name>
2-(furan-2-yl)-N-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]acetamide

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=CC2=C(C=C1)OC(=C2CCNC(=O)CC3=CC=CO3)C4=CC=CC=C4

>  <Isomeric SMILES>
COC1=CC2=C(C=C1)OC(=C2CCNC(=O)CC3=CC=CO3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C23H21NO4/c1-26-17-9-10-21-20(14-17)19(23(28-21)16-6-3-2-4-7-16)11-12-24-22(25)15-18-8-5-13-27-18/h2-10,13-14H,11-12,15H2,1H3,(H,24,25)

>  <InChI Key>
CDGCFSKJQSGUMM-UHFFFAOYSA-N

