
 CHEMBL14453

 74 77  0  0  0  0  0  0  0  0999 V2000
    3.1351    4.9228   -4.4422 C   0  0  0  0  0
    2.5070    4.7059   -3.0932 C   0  0  0  0  0
    1.7621    5.5269   -2.5692 O   0  0  0  0  0
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    5.1124    2.3806    0.1276 C   0  0  0  0  0
    6.4778    2.1264    0.1486 C   0  0  0  0  0
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    5.5934    8.3645   -1.0102 O   0  0  0  0  0
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    3.7357   17.8781    0.3297 C   0  0  0  0  0
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    4.9062   20.2165    1.3183 C   0  0  0  0  0
    5.7190   19.0973    1.0538 C   0  0  0  0  0
    7.2100   19.2675    1.2453 C   0  0  0  0  0
    7.6841   18.9820    2.6676 C   0  0  0  0  0
    9.1089   19.2380    2.8032 N   0  0  0  0  0
    9.7505   19.1095    4.0126 C   0  0  0  0  0
    9.1866   18.7997    5.0557 O   0  0  0  0  0
   11.2336   19.3565    3.9386 C   0  0  0  0  0
    3.1254   16.7325   -0.1950 C   0  0  0  0  0
    3.8597   15.5730   -0.4434 C   0  0  0  0  0
    3.1570    5.9924   -4.6673 H   0  0  0  0  0
    2.5463    4.4024   -5.2022 H   0  0  0  0  0
    4.1630    4.5487   -4.4542 H   0  0  0  0  0
    3.5637    2.9420   -2.9469 H   0  0  0  0  0
    2.4914    2.0383   -1.1171 H   0  0  0  0  0
    1.2953    3.3389   -1.1338 H   0  0  0  0  0
    2.7446    3.4828    0.8829 H   0  0  0  0  0
    2.8253    4.9137   -0.0938 H   0  0  0  0  0
    4.4269    1.5561    0.3133 H   0  0  0  0  0
    6.8445    1.1206    0.3351 H   0  0  0  0  0
    8.4411    2.9523   -0.0163 H   0  0  0  0  0
    4.1152    6.3796   -0.6878 H   0  0  0  0  0
    8.2227    7.5750   -0.8244 H   0  0  0  0  0
    8.9266    5.2897   -0.4168 H   0  0  0  0  0
    7.3307    9.5135   -1.1715 H   0  0  0  0  0
    6.6010    9.4204    0.4678 H   0  0  0  0  0
    4.6073   10.6656   -0.4344 H   0  0  0  0  0
    5.3902   10.7829   -1.9939 H   0  0  0  0  0
    7.2571   12.1399   -0.9790 H   0  0  0  0  0
    6.5164   11.9822    0.6037 H   0  0  0  0  0
    4.4458   13.0554   -0.2475 H   0  0  0  0  0
    5.2406   13.3345   -1.8325 H   0  0  0  0  0
    6.9010   16.6135    0.5855 H   0  0  0  0  0
    1.8867   19.0055    0.3996 H   0  0  0  0  0
    2.9202   21.0456    1.2963 H   0  0  0  0  0
    5.3461   21.1398    1.6913 H   0  0  0  0  0
    7.4826   20.2973    0.9737 H   0  0  0  0  0
    7.7628   18.6508    0.5269 H   0  0  0  0  0
    7.4982   17.9386    2.9467 H   0  0  0  0  0
    7.1590   19.6134    3.3946 H   0  0  0  0  0
    9.6648   19.3773    1.9694 H   0  0  0  0  0
   11.5827   19.7579    4.8940 H   0  0  0  0  0
   11.7465   18.4149    3.7266 H   0  0  0  0  0
   11.4713   20.0844    3.1573 H   0  0  0  0  0
    2.0604   16.7290   -0.4187 H   0  0  0  0  0
    3.3274   14.7272   -0.8631 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL14453

>  <PubChem CID>
9806449

>  <Formula>
C32H36N2O4

>  <Molecular Weight>
512.650000

>  <IUPAC Name>
N-[2-[7-[4-[8-(2-acetamidoethyl)naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]ethyl]acetamide

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OCCCCOC3=CC4=C(C=CC=C4CCNC(=O)C)C=C3

>  <Isomeric SMILES>
CC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OCCCCOC3=CC4=C(C=CC=C4CCNC(=O)C)C=C3

>  <InChI Std. ID>
InChI=1S/C32H36N2O4/c1-23(35)33-17-15-27-9-5-7-25-11-13-29(21-31(25)27)37-19-3-4-20-38-30-14-12-26-8-6-10-28(32(26)22-30)16-18-34-24(2)36/h5-14,21-22H,3-4,15-20H2,1-2H3,(H,33,35)(H,34,36)

>  <InChI Key>
AGGOYESCDGTCOY-UHFFFAOYSA-N

