
 AC1L1HUK

 65 68  0  0  0  0  0  0  0  0999 V2000
    1.0849   -0.6245    0.8012 C   0  0  0  0  0
    2.5060   -0.4467    0.3658 C   0  0  0  0  0
    3.2560    0.7248    0.3477 C   0  0  0  0  0
    4.5906    0.3513   -0.0062 C   0  0  0  0  0
    4.5719   -1.0034   -0.3580 C   0  0  0  0  0
    3.3089   -1.5160   -0.0376 N   0  0  0  0  0
    2.9104   -2.8814   -0.1008 C   0  0  0  0  0
    1.7136   -3.1272   -0.2537 O   0  0  0  0  0
    3.8302   -4.0405    0.0220 C   0  0  0  0  0
    4.8792   -4.0374    0.9527 C   0  0  0  0  0
    5.7498   -5.1284    1.0241 C   0  0  0  0  0
    5.5519   -6.2304    0.1926 C   0  0  0  0  0
    4.4814   -6.2595   -0.7008 C   0  0  0  0  0
    3.6146   -5.1662   -0.7826 C   0  0  0  0  0
    6.6361   -7.5633    0.2703 Cl  0  0  0  0  0
    5.7002   -1.6071   -0.9525 C   0  0  0  0  0
    6.8882   -0.8786   -1.0533 C   0  0  0  0  0
    6.9672    0.4254   -0.5918 C   0  0  0  0  0
    5.8196    1.0501   -0.1003 C   0  0  0  0  0
    8.1967    1.0164   -0.7024 O   0  0  0  0  0
    8.4265    2.1269    0.1606 C   0  0  0  0  0
    2.6887    2.0854    0.6661 C   0  0  0  0  0
    3.6423    3.2581    0.5423 C   0  0  0  0  0
    4.1754    3.7745    1.5213 O   0  0  0  0  0
    3.8750    3.6920   -0.7455 N   0  0  0  0  0
    4.7376    4.8293   -1.0128 C   0  0  0  0  0
    5.2578    4.8671   -2.4536 C   0  0  0  0  0
    4.2043    4.9321   -3.5373 C   0  0  0  0  0
    3.0377    5.6927   -3.4068 C   0  0  0  0  0
    2.0905    5.7271   -4.4364 C   0  0  0  0  0
    2.2954    5.0173   -5.6245 C   0  0  0  0  0
    3.4736    4.2885   -5.7725 C   0  0  0  0  0
    4.4200    4.2506   -4.7420 C   0  0  0  0  0
    1.2853    5.0941   -6.6051 N   0  0  0  0  0
    1.2468    4.4426   -7.8247 C   0  0  0  0  0
    2.0892    3.6789   -8.2820 O   0  0  0  0  0
    0.0149    4.7934   -8.6214 C   0  0  0  0  0
    0.4234   -0.7029   -0.0662 H   0  0  0  0  0
    0.7505    0.2264    1.4037 H   0  0  0  0  0
    0.9636   -1.5090    1.4345 H   0  0  0  0  0
    5.0406   -3.1892    1.6146 H   0  0  0  0  0
    6.5801   -5.1109    1.7261 H   0  0  0  0  0
    4.3174   -7.1264   -1.3363 H   0  0  0  0  0
    2.7773   -5.1923   -1.4780 H   0  0  0  0  0
    5.6813   -2.6247   -1.3288 H   0  0  0  0  0
    7.7697   -1.3506   -1.4820 H   0  0  0  0  0
    5.8645    2.0846    0.2128 H   0  0  0  0  0
    9.4930    2.3677    0.1186 H   0  0  0  0  0
    8.1806    1.8838    1.2005 H   0  0  0  0  0
    7.8735    3.0079   -0.1798 H   0  0  0  0  0
    2.3000    2.0892    1.6914 H   0  0  0  0  0
    1.8333    2.2808    0.0063 H   0  0  0  0  0
    3.3397    3.2920   -1.5087 H   0  0  0  0  0
    5.5928    4.7832   -0.3282 H   0  0  0  0  0
    4.1781    5.7359   -0.7592 H   0  0  0  0  0
    5.8742    3.9717   -2.6102 H   0  0  0  0  0
    5.9198    5.7337   -2.5731 H   0  0  0  0  0
    2.8423    6.2693   -2.5061 H   0  0  0  0  0
    1.1904    6.3184   -4.2894 H   0  0  0  0  0
    3.6953    3.7380   -6.6816 H   0  0  0  0  0
    5.3317    3.6751   -4.8955 H   0  0  0  0  0
    0.4931    5.6811   -6.3774 H   0  0  0  0  0
   -0.8520    4.9285   -7.9683 H   0  0  0  0  0
   -0.2099    3.9805   -9.3179 H   0  0  0  0  0
    0.1992    5.7131   -9.1828 H   0  0  0  0  0
  1  2  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  1 40  1  0  0  0
  2  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 22  1  0  0  0
  4  5  2  0  0  0
  4 19  1  0  0  0
  5 16  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 41  1  0  0  0
 11 12  2  0  0  0
 11 42  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 43  1  0  0  0
 14 44  1  0  0  0
 16 17  2  0  0  0
 16 45  1  0  0  0
 17 18  1  0  0  0
 17 46  1  0  0  0
 18 19  2  0  0  0
 18 20  1  0  0  0
 19 47  1  0  0  0
 20 21  1  0  0  0
 21 48  1  0  0  0
 21 49  1  0  0  0
 21 50  1  0  0  0
 22 23  1  0  0  0
 22 51  1  0  0  0
 22 52  1  0  0  0
 23 25  1  0  0  0
 23 24  2  0  0  0
 25 26  1  0  0  0
 25 53  1  0  0  0
 26 27  1  0  0  0
 26 54  1  0  0  0
 26 55  1  0  0  0
 27 28  1  0  0  0
 27 56  1  0  0  0
 27 57  1  0  0  0
 28 29  2  0  0  0
 28 33  1  0  0  0
 29 30  1  0  0  0
 29 58  1  0  0  0
 30 31  2  0  0  0
 30 59  1  0  0  0
 31 32  1  0  0  0
 31 34  1  0  0  0
 32 33  2  0  0  0
 32 60  1  0  0  0
 33 61  1  0  0  0
 34 35  1  0  0  0
 34 62  1  0  0  0
 35 37  1  0  0  0
 35 36  2  0  0  0
 37 63  1  0  0  0
 37 64  1  0  0  0
 37 65  1  0  0  0
M  END

>  <Chemical Name>
AC1L1HUK

>  <PubChem CID>
4297

>  <Formula>
C29H28ClN3O4

>  <Molecular Weight>
518.010000

>  <IUPAC Name>
N-[2-(4-acetamidophenyl)ethyl]-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide

>  <XlogP>
5.200

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)NCCC4=CC=C(C=C4)NC(=O)C

>  <Isomeric SMILES>
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)NCCC4=CC=C(C=C4)NC(=O)C

>  <InChI Std. ID>
InChI=1S/C29H28ClN3O4/c1-18-25(17-28(35)31-15-14-20-4-10-23(11-5-20)32-19(2)34)26-16-24(37-3)12-13-27(26)33(18)29(36)21-6-8-22(30)9-7-21/h4-13,16H,14-15,17H2,1-3H3,(H,31,35)(H,32,34)

>  <InChI Key>
AHMBOWOIHGCYBC-UHFFFAOYSA-N

