
 CHEMBL1088826

 53 55  0  0  0  0  0  0  0  0999 V2000
    4.2062   -2.1585    1.7784 C   0  0  0  0  0
    3.2888   -1.0783    1.6582 O   0  0  0  0  0
    3.7976    0.1205    1.2416 C   0  0  0  0  0
    2.8511    1.1302    1.0589 C   0  0  0  0  0
    3.2258    2.4156    0.6263 C   0  0  0  0  0
    4.5822    2.6883    0.3796 C   0  0  0  0  0
    5.5297    1.6829    0.5909 C   0  0  0  0  0
    5.1396    0.4039    1.0087 C   0  0  0  0  0
    4.8842    3.9683    0.0018 O   0  0  0  0  0
    6.0327    4.1948   -0.8157 C   0  0  0  0  0
    5.6881    4.1307   -2.2840 C   0  0  0  0  0
    5.2808    5.2855   -2.9677 C   0  0  0  0  0
    4.9777    5.2346   -4.3295 C   0  0  0  0  0
    5.0670    4.0274   -5.0194 C   0  0  0  0  0
    5.4528    2.8694   -4.3471 C   0  0  0  0  0
    5.7598    2.9191   -2.9858 C   0  0  0  0  0
    2.1536    3.4685    0.4506 C   0  0  0  0  0
    1.9437    4.2964    1.7206 C   0  0  0  0  0
    0.7955    5.2846    1.5434 C   0  0  0  0  0
    0.5769    6.0821    2.7345 N   0  0  0  0  0
   -0.4205    7.0381    2.7567 C   0  0  0  0  0
   -1.1222    7.3034    1.7867 O   0  0  0  0  0
   -0.6508    7.7264    4.0575 C   0  0  0  0  0
    0.3789    7.9175    4.9879 C   0  0  0  0  0
    0.1180    8.5741    6.1937 C   0  0  0  0  0
   -1.1651    9.0449    6.4714 C   0  0  0  0  0
   -2.1900    8.8703    5.5422 C   0  0  0  0  0
   -1.9331    8.2165    4.3354 C   0  0  0  0  0
    3.6423   -3.0442    2.0865 H   0  0  0  0  0
    4.9552   -1.9562    2.5512 H   0  0  0  0  0
    4.6805   -2.3832    0.8171 H   0  0  0  0  0
    1.8039    0.9073    1.2545 H   0  0  0  0  0
    6.5918    1.8592    0.4660 H   0  0  0  0  0
    5.9145   -0.3408    1.1557 H   0  0  0  0  0
    6.8873    3.5522   -0.5866 H   0  0  0  0  0
    6.3836    5.2078   -0.5817 H   0  0  0  0  0
    5.1993    6.2345   -2.4414 H   0  0  0  0  0
    4.6691    6.1369   -4.8506 H   0  0  0  0  0
    4.8286    3.9881   -6.0789 H   0  0  0  0  0
    5.5119    1.9254   -4.8831 H   0  0  0  0  0
    6.0527    2.0042   -2.4770 H   0  0  0  0  0
    1.2135    2.9764    0.1686 H   0  0  0  0  0
    2.4031    4.1218   -0.3945 H   0  0  0  0  0
    2.8632    4.8366    1.9790 H   0  0  0  0  0
    1.7270    3.6353    2.5700 H   0  0  0  0  0
   -0.1380    4.7543    1.3214 H   0  0  0  0  0
    0.9954    5.9689    0.7106 H   0  0  0  0  0
    0.9391    5.7403    3.6143 H   0  0  0  0  0
    1.3927    7.5910    4.7765 H   0  0  0  0  0
    0.9185    8.7285    6.9129 H   0  0  0  0  0
   -1.3654    9.5583    7.4087 H   0  0  0  0  0
   -3.1883    9.2460    5.7537 H   0  0  0  0  0
   -2.7351    8.0891    3.6106 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  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  5  6  2  0  0  0
  5 17  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  1  0  0  0
 10 35  1  0  0  0
 10 36  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 37  1  0  0  0
 13 14  2  0  0  0
 13 38  1  0  0  0
 14 15  1  0  0  0
 14 39  1  0  0  0
 15 16  2  0  0  0
 15 40  1  0  0  0
 16 41  1  0  0  0
 17 18  1  0  0  0
 17 42  1  0  0  0
 17 43  1  0  0  0
 18 19  1  0  0  0
 18 44  1  0  0  0
 18 45  1  0  0  0
 19 20  1  0  0  0
 19 46  1  0  0  0
 19 47  1  0  0  0
 20 21  1  0  0  0
 20 48  1  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 24 49  1  0  0  0
 25 26  2  0  0  0
 25 50  1  0  0  0
 26 27  1  0  0  0
 26 51  1  0  0  0
 27 28  2  0  0  0
 27 52  1  0  0  0
 28 53  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1088826

>  <PubChem CID>
46885229

>  <Formula>
C24H25NO3

>  <Molecular Weight>
375.468000

>  <IUPAC Name>
N-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]benzamide

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
COC1=CC(=C(C=C1)OCC2=CC=CC=C2)CCCNC(=O)C3=CC=CC=C3

>  <Isomeric SMILES>
COC1=CC(=C(C=C1)OCC2=CC=CC=C2)CCCNC(=O)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C24H25NO3/c1-27-22-14-15-23(28-18-19-9-4-2-5-10-19)21(17-22)13-8-16-25-24(26)20-11-6-3-7-12-20/h2-7,9-12,14-15,17H,8,13,16,18H2,1H3,(H,25,26)

>  <InChI Key>
ADHCOHYCHZGJSV-UHFFFAOYSA-N

