
 Opc 21268

 64 67  0  0  0  0  0  0  0  0999 V2000
   11.0927   14.6185   -3.2298 C   0  0  0  0  0
   11.8060   14.3015   -1.9417 C   0  0  0  0  0
   12.7136   15.0179   -1.5209 O   0  0  0  0  0
   11.4153   13.2218   -1.2081 N   0  0  0  0  0
   10.4239   12.2169   -1.5389 C   0  0  0  0  0
   11.0039   11.1409   -2.4472 C   0  0  0  0  0
    9.9385   10.1372   -2.8764 C   0  0  0  0  0
   10.5156    9.1878   -3.7845 O   0  0  0  0  0
   10.8343    8.0196   -3.1512 C   0  0  0  0  0
   12.1633    7.7779   -2.8167 C   0  0  0  0  0
   12.5099    6.5946   -2.1568 C   0  0  0  0  0
   11.5429    5.6138   -1.9061 C   0  0  0  0  0
   10.2072    5.8741   -2.2579 C   0  0  0  0  0
    9.8518    7.0716   -2.8842 C   0  0  0  0  0
   11.8086    4.3505   -1.1585 C   0  0  0  0  0
   10.9446    4.0206   -0.3403 O   0  0  0  0  0
   12.9568    3.5603   -1.3761 N   0  0  0  0  0
   13.2220    2.6031   -0.3016 C   0  0  0  0  0
   14.3726    1.6182   -0.4980 C   0  0  0  0  0
   15.5264    2.0612   -1.4065 C   0  0  0  0  0
   14.9807    2.7995   -2.6278 C   0  0  0  0  0
   14.0592    3.9448   -2.2512 C   0  0  0  0  0
   16.6808    2.7475   -0.7539 N   0  0  0  0  0
   16.4849    3.7812    0.1664 C   0  0  0  0  0
   15.3816    4.1805    0.5471 O   0  0  0  0  0
   17.7052    4.5314    0.6338 C   0  0  0  0  0
   18.8296    3.5756    0.9314 C   0  0  0  0  0
   19.1011    2.7739   -0.3056 C   0  0  0  0  0
   20.4193    2.3931   -0.6035 C   0  0  0  0  0
   20.6881    1.6259   -1.7300 C   0  0  0  0  0
   19.6435    1.2322   -2.5562 C   0  0  0  0  0
   18.3258    1.5977   -2.2547 C   0  0  0  0  0
   18.0272    2.3663   -1.1200 C   0  0  0  0  0
   10.5860   13.7555   -3.6615 H   0  0  0  0  0
   11.8285   14.9642   -3.9624 H   0  0  0  0  0
   10.3614   15.4096   -3.0475 H   0  0  0  0  0
   11.9707   13.0903   -0.3712 H   0  0  0  0  0
    9.5606   12.7051   -2.0011 H   0  0  0  0  0
   10.0916   11.7745   -0.5934 H   0  0  0  0  0
   11.8214   10.6243   -1.9296 H   0  0  0  0  0
   11.4640   11.5837   -3.3389 H   0  0  0  0  0
    9.1452   10.6560   -3.4268 H   0  0  0  0  0
    9.4676    9.6630   -2.0053 H   0  0  0  0  0
   12.9242    8.5206   -3.0394 H   0  0  0  0  0
   13.5320    6.4824   -1.8176 H   0  0  0  0  0
    9.4332    5.1466   -2.0210 H   0  0  0  0  0
    8.8164    7.2598   -3.1486 H   0  0  0  0  0
   12.3063    2.0171   -0.1427 H   0  0  0  0  0
   13.3488    3.1661    0.6289 H   0  0  0  0  0
   14.7447    1.2744    0.4744 H   0  0  0  0  0
   13.9288    0.7283   -0.9696 H   0  0  0  0  0
   15.9198    1.1017   -1.7621 H   0  0  0  0  0
   15.7981    3.1753   -3.2542 H   0  0  0  0  0
   14.4143    2.0870   -3.2429 H   0  0  0  0  0
   14.6396    4.7252   -1.7541 H   0  0  0  0  0
   13.6453    4.3709   -3.1708 H   0  0  0  0  0
   17.4517    5.0911    1.5409 H   0  0  0  0  0
   17.9776    5.2563   -0.1436 H   0  0  0  0  0
   18.5657    2.8943    1.7488 H   0  0  0  0  0
   19.7155    4.1436    1.2347 H   0  0  0  0  0
   21.2397    2.6979    0.0433 H   0  0  0  0  0
   21.7106    1.3379   -1.9621 H   0  0  0  0  0
   19.8507    0.6378   -3.4433 H   0  0  0  0  0
   17.5608    1.2796   -2.9554 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 37  1  0  0  0
  5  6  1  0  0  0
  5 38  1  0  0  0
  5 39  1  0  0  0
  6  7  1  0  0  0
  6 40  1  0  0  0
  6 41  1  0  0  0
  7  8  1  0  0  0
  7 42  1  0  0  0
  7 43  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 44  1  0  0  0
 11 12  2  0  0  0
 11 45  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 46  1  0  0  0
 14 47  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 22  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 18 48  1  0  0  0
 18 49  1  0  0  0
 19 20  1  0  0  0
 19 50  1  0  0  0
 19 51  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 20 52  1  0  0  0
 21 22  1  0  0  0
 21 53  1  0  0  0
 21 54  1  0  0  0
 22 55  1  0  0  0
 22 56  1  0  0  0
 23 24  1  0  0  0
 23 33  1  0  0  0
 24 26  1  0  0  0
 24 25  2  0  0  0
 26 27  1  0  0  0
 26 57  1  0  0  0
 26 58  1  0  0  0
 27 28  1  0  0  0
 27 59  1  0  0  0
 27 60  1  0  0  0
 28 29  2  0  0  0
 28 33  1  0  0  0
 29 30  1  0  0  0
 29 61  1  0  0  0
 30 31  2  0  0  0
 30 62  1  0  0  0
 31 32  1  0  0  0
 31 63  1  0  0  0
 32 33  2  0  0  0
 32 64  1  0  0  0
M  END

>  <Chemical Name>
Opc 21268

>  <PubChem CID>
114904

>  <Formula>
C26H31N3O4

>  <Molecular Weight>
449.551000

>  <IUPAC Name>
N-[3-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]propyl]acetamide

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(=O)NCCCOC1=CC=C(C=C1)C(=O)N2CCC(CC2)N3C(=O)CCC4=CC=CC=C43

>  <Isomeric SMILES>
CC(=O)NCCCOC1=CC=C(C=C1)C(=O)N2CCC(CC2)N3C(=O)CCC4=CC=CC=C43

>  <InChI Std. ID>
InChI=1S/C26H31N3O4/c1-19(30)27-15-4-18-33-23-10-7-21(8-11-23)26(32)28-16-13-22(14-17-28)29-24-6-3-2-5-20(24)9-12-25(29)31/h2-3,5-8,10-11,22H,4,9,12-18H2,1H3,(H,27,30)

>  <InChI Key>
KSNUCNRMDYJBKT-UHFFFAOYSA-N

