
 AC1NC8RF

 67 68  0  0  0  0  0  0  0  0999 V2000
    0.9576   -0.9745    0.8427 C   0  0  0  0  0
    1.1244   -0.0291   -0.1674 C   0  0  0  0  0
    2.4052    0.2710   -0.6377 C   0  0  0  0  0
    3.5248   -0.3578   -0.0892 C   0  0  0  0  0
    3.3520   -1.3171    0.9109 C   0  0  0  0  0
    2.0700   -1.6216    1.3773 C   0  0  0  0  0
    4.7345   -0.0012   -0.6265 O   0  0  0  0  0
    5.8209   -0.0269    0.2938 C   0  0  0  0  0
    7.0750    0.5839   -0.3206 C   0  0  0  0  0
    7.7926    1.3871    0.2771 O   0  0  0  0  0
    7.3995    0.0913   -1.5720 N   0  0  0  0  0
    8.7124    0.3231   -2.0287 N   0  0  0  0  0
    9.4415   -0.7802   -2.4347 C   0  0  0  0  0
    8.9260   -1.8768   -2.6359 O   0  0  0  0  0
   10.9127   -0.4737   -2.6558 C   0  0  0  0  0
   11.7936   -1.7210   -2.7498 C   0  0  0  0  0
   11.9386   -2.4267   -1.3975 C   0  0  0  0  0
   12.7944   -3.6967   -1.4593 C   0  0  0  0  0
   14.2793   -3.4077   -1.6953 C   0  0  0  0  0
   15.1735   -4.6504   -1.5997 C   0  0  0  0  0
   15.2160   -5.3310   -0.2321 C   0  0  0  0  0
   15.7558   -4.4209    0.8512 C   0  0  0  0  0
   16.9552   -4.1944    0.9949 O   0  0  0  0  0
   14.7782   -3.8600    1.6461 N   0  0  0  0  0
   15.1471   -2.8732    2.5610 N   0  0  0  0  0
   14.1811   -2.0003    3.0180 C   0  0  0  0  0
   13.0180   -2.0305    2.6137 O   0  0  0  0  0
   14.7007   -0.9439    3.9839 C   0  0  0  0  0
   15.5469   -1.5516    4.9562 O   0  0  0  0  0
   15.9728   -0.7187    5.9558 C   0  0  0  0  0
   16.2472    0.6408    5.7977 C   0  0  0  0  0
   16.7136    1.3916    6.8806 C   0  0  0  0  0
   16.9099    0.7871    8.1210 C   0  0  0  0  0
   16.6477   -0.5721    8.2791 C   0  0  0  0  0
   16.1886   -1.3241    7.1957 C   0  0  0  0  0
   -0.0382   -1.2130    1.2081 H   0  0  0  0  0
    0.2578    0.4730   -0.5899 H   0  0  0  0  0
    2.5286    1.0082   -1.4269 H   0  0  0  0  0
    4.1905   -1.8598    1.3336 H   0  0  0  0  0
    1.9399   -2.3707    2.1545 H   0  0  0  0  0
    6.0782   -1.0563    0.5672 H   0  0  0  0  0
    5.5731    0.5530    1.1912 H   0  0  0  0  0
    6.9455   -0.7496   -1.9305 H   0  0  0  0  0
    9.1846    1.1110   -1.5816 H   0  0  0  0  0
   11.2752    0.1805   -1.8549 H   0  0  0  0  0
   10.9832    0.0820   -3.5987 H   0  0  0  0  0
   12.7816   -1.4110   -3.1084 H   0  0  0  0  0
   11.3870   -2.4188   -3.4914 H   0  0  0  0  0
   10.9464   -2.7084   -1.0262 H   0  0  0  0  0
   12.3631   -1.7343   -0.6600 H   0  0  0  0  0
   12.4166   -4.3653   -2.2420 H   0  0  0  0  0
   12.6627   -4.2231   -0.5090 H   0  0  0  0  0
   14.6305   -2.6441   -0.9920 H   0  0  0  0  0
   14.4069   -2.9841   -2.6987 H   0  0  0  0  0
   16.1932   -4.3560   -1.8792 H   0  0  0  0  0
   14.8462   -5.3845   -2.3463 H   0  0  0  0  0
   15.8759   -6.2059   -0.2786 H   0  0  0  0  0
   14.2302   -5.7142    0.0513 H   0  0  0  0  0
   13.7906   -3.8845    1.3965 H   0  0  0  0  0
   16.1114   -2.8647    2.8932 H   0  0  0  0  0
   13.8376   -0.4759    4.4723 H   0  0  0  0  0
   15.2479   -0.2106    3.3819 H   0  0  0  0  0
   16.1330    1.1408    4.8423 H   0  0  0  0  0
   16.9333    2.4486    6.7524 H   0  0  0  0  0
   17.2747    1.3732    8.9606 H   0  0  0  0  0
   16.8043   -1.0479    9.2437 H   0  0  0  0  0
   15.9901   -2.3851    7.3237 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 36  1  0  0  0
  2  3  1  0  0  0
  2 37  1  0  0  0
  3  4  2  0  0  0
  3 38  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 39  1  0  0  0
  6 40  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 41  1  0  0  0
  8 42  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
 11 43  1  0  0  0
 12 13  1  0  0  0
 12 44  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
 15 45  1  0  0  0
 15 46  1  0  0  0
 16 17  1  0  0  0
 16 47  1  0  0  0
 16 48  1  0  0  0
 17 18  1  0  0  0
 17 49  1  0  0  0
 17 50  1  0  0  0
 18 19  1  0  0  0
 18 51  1  0  0  0
 18 52  1  0  0  0
 19 20  1  0  0  0
 19 53  1  0  0  0
 19 54  1  0  0  0
 20 21  1  0  0  0
 20 55  1  0  0  0
 20 56  1  0  0  0
 21 22  1  0  0  0
 21 57  1  0  0  0
 21 58  1  0  0  0
 22 24  1  0  0  0
 22 23  2  0  0  0
 24 25  1  0  0  0
 24 59  1  0  0  0
 25 26  1  0  0  0
 25 60  1  0  0  0
 26 28  1  0  0  0
 26 27  2  0  0  0
 28 29  1  0  0  0
 28 61  1  0  0  0
 28 62  1  0  0  0
 29 30  1  0  0  0
 30 31  2  0  0  0
 30 35  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
 33 34  1  0  0  0
 33 65  1  0  0  0
 34 35  2  0  0  0
 34 66  1  0  0  0
 35 67  1  0  0  0
M  END

>  <Chemical Name>
AC1NC8RF

>  <PubChem CID>
4507818

>  <Formula>
C25H32N4O6

>  <Molecular Weight>
484.553000

>  <IUPAC Name>
1-N',9-N'-bis(2-phenoxyacetyl)nonanedihydrazide

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC=C(C=C1)OCC(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)COC2=CC=CC=C2

>  <Isomeric SMILES>
C1=CC=C(C=C1)OCC(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)COC2=CC=CC=C2

>  <InChI Std. ID>
InChI=1S/C25H32N4O6/c30-22(26-28-24(32)18-34-20-12-6-4-7-13-20)16-10-2-1-3-11-17-23(31)27-29-25(33)19-35-21-14-8-5-9-15-21/h4-9,12-15H,1-3,10-11,16-19H2,(H,26,30)(H,27,31)(H,28,32)(H,29,33)

>  <InChI Key>
CXYLSHRKQPKDEH-UHFFFAOYSA-N

