
 CHEMBL197319

 57 60  0  0  0  0  0  0  0  0999 V2000
   -1.0246   -1.3005    0.1299 C   0  0  0  0  0
    0.2555   -0.4879    0.3574 C   0  0  0  0  0
    0.3836    0.1150    1.7415 C   0  0  0  0  0
   -0.7230    0.1457    2.6139 C   0  0  0  0  0
   -2.0509   -0.4501    2.2256 C   0  0  0  0  0
   -2.2332   -0.5599    0.7037 C   0  0  0  0  0
   -3.5622   -1.2379    0.3352 C   0  0  0  0  0
   -4.6542   -0.3714    0.7016 O   0  0  0  0  0
   -5.2119   -0.5631    1.9370 C   0  0  0  0  0
   -4.9815   -1.5806    2.5872 O   0  0  0  0  0
   -5.9939    0.5237    2.3776 N   0  0  0  0  0
   -6.6527    0.4612    3.6604 C   0  0  0  0  0
   -7.1959   -0.7398    4.1409 C   0  0  0  0  0
   -7.7821   -0.8131    5.4094 C   0  0  0  0  0
   -7.8343    0.3138    6.2240 C   0  0  0  0  0
   -7.3024    1.5161    5.7704 C   0  0  0  0  0
   -6.7194    1.5891    4.5016 C   0  0  0  0  0
   -6.0189    1.7904    1.6980 C   0  0  0  0  0
   -4.8550    2.3734    1.1777 C   0  0  0  0  0
   -4.8970    3.6144    0.5326 C   0  0  0  0  0
   -6.1056    4.2895    0.3984 C   0  0  0  0  0
   -7.2727    3.7282    0.9093 C   0  0  0  0  0
   -7.2303    2.4882    1.5537 C   0  0  0  0  0
   -0.5946    0.7115    3.8879 C   0  0  0  0  0
    0.6094    1.2796    4.2869 C   0  0  0  0  0
    1.7036    1.2792    3.4179 C   0  0  0  0  0
    1.5989    0.7025    2.1484 C   0  0  0  0  0
    2.6039    0.6838    1.2155 O   0  0  0  0  0
    3.9190    1.0102    1.6320 C   0  0  0  0  0
    4.5993   -0.0775    2.4430 C   0  0  0  0  0
    4.8365   -0.0467    3.6394 O   0  0  0  0  0
    4.9581   -1.1451    1.6992 O   0  0  0  0  0
   -1.1498   -1.4801   -0.9442 H   0  0  0  0  0
   -0.9287   -2.2844    0.6080 H   0  0  0  0  0
    0.2835    0.3339   -0.3693 H   0  0  0  0  0
    1.1133   -1.1406    0.1563 H   0  0  0  0  0
   -2.1327   -1.4401    2.6912 H   0  0  0  0  0
   -2.8377    0.1842    2.6465 H   0  0  0  0  0
   -2.2501    0.4559    0.2844 H   0  0  0  0  0
   -3.6552   -2.2362    0.7782 H   0  0  0  0  0
   -3.6240   -1.3668   -0.7511 H   0  0  0  0  0
   -7.1828   -1.6419    3.5340 H   0  0  0  0  0
   -8.1909   -1.7575    5.7601 H   0  0  0  0  0
   -8.2779    0.2518    7.2141 H   0  0  0  0  0
   -7.3232    2.3964    6.4078 H   0  0  0  0  0
   -6.2739    2.5358    4.2053 H   0  0  0  0  0
   -3.8879    1.8977    1.2994 H   0  0  0  0  0
   -3.9810    4.0503    0.1428 H   0  0  0  0  0
   -6.1369    5.2537   -0.1020 H   0  0  0  0  0
   -8.2196    4.2523    0.8044 H   0  0  0  0  0
   -8.1590    2.0624    1.9275 H   0  0  0  0  0
   -1.4395    0.7181    4.5748 H   0  0  0  0  0
    0.6981    1.7268    5.2723 H   0  0  0  0  0
    2.6122    1.7465    3.7745 H   0  0  0  0  0
    3.9705    1.9702    2.1581 H   0  0  0  0  0
    4.5211    1.1584    0.7280 H   0  0  0  0  0
    5.3481   -1.7698    2.3464 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  2 36  1  0  0  0
  3  4  2  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4 24  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  5 38  1  0  0  0
  6  7  1  0  0  0
  6 39  1  0  0  0
  7  8  1  0  0  0
  7 40  1  0  0  0
  7 41  1  0  0  0
  8  9  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 18  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 42  1  0  0  0
 14 15  2  0  0  0
 14 43  1  0  0  0
 15 16  1  0  0  0
 15 44  1  0  0  0
 16 17  2  0  0  0
 16 45  1  0  0  0
 17 46  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 47  1  0  0  0
 20 21  2  0  0  0
 20 48  1  0  0  0
 21 22  1  0  0  0
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 24 52  1  0  0  0
 25 26  1  0  0  0
 25 53  1  0  0  0
 26 27  2  0  0  0
 26 54  1  0  0  0
 27 28  1  0  0  0
 28 29  1  0  0  0
 29 30  1  0  0  0
 29 55  1  0  0  0
 29 56  1  0  0  0
 30 32  1  0  0  0
 30 31  2  0  0  0
 32 57  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL197319

>  <PubChem CID>
44402710

>  <Formula>
C26H25NO5

>  <Molecular Weight>
431.488000

>  <IUPAC Name>
2-[[6-(diphenylcarbamoyloxymethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC2=C(CC1COC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)C=CC=C2OCC(=O)O

>  <Isomeric SMILES>
C1CC2=C(CC1COC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)C=CC=C2OCC(=O)O

>  <InChI Std. ID>
InChI=1S/C26H25NO5/c28-25(29)18-31-24-13-7-8-20-16-19(14-15-23(20)24)17-32-26(30)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-13,19H,14-18H2,(H,28,29)

>  <InChI Key>
CDAMGZXJUYMJLP-UHFFFAOYSA-N

