
 MLS001177268

 49 51  0  0  0  0  0  0  0  0999 V2000
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    2.3068   -0.1315    0.4090 C   0  0  0  0  0
    0.7993    0.0003    0.5539 C   0  0  0  0  0
    0.2155    0.2996    1.7983 C   0  0  0  0  0
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   -1.7543    0.7270    3.1884 C   0  0  0  0  0
   -3.1379    0.8515    3.3192 C   0  0  0  0  0
   -3.9594    0.6716    2.2103 C   0  0  0  0  0
   -3.3989    0.3664    0.9685 C   0  0  0  0  0
   -2.0079    0.2398    0.8200 C   0  0  0  0  0
   -1.4251   -0.0632   -0.4205 C   0  0  0  0  0
   -0.0381   -0.1802   -0.5527 C   0  0  0  0  0
    2.9471    1.1092    0.8214 N   0  0  0  0  0
    4.2987    1.3349    0.6746 C   0  0  0  0  0
    5.0911    0.4957    0.2535 O   0  0  0  0  0
    4.7538    2.6900    1.2065 C   0  0  0  0  0
    3.9637    3.7399    0.6604 O   0  0  0  0  0
    4.2741    5.0108    1.0738 C   0  0  0  0  0
    5.1210    5.3313    2.1360 C   0  0  0  0  0
    5.3322    6.6653    2.4834 C   0  0  0  0  0
    4.7030    7.6832    1.7674 C   0  0  0  0  0
    3.8568    7.3808    0.6941 C   0  0  0  0  0
    3.6465    6.0401    0.3576 C   0  0  0  0  0
    3.2657    8.4736    0.0248 N   0  0  0  0  0
    2.4126    8.4371   -1.0631 C   0  0  0  0  0
    2.0318    7.4427   -1.6698 O   0  0  0  0  0
    1.9765    9.8148   -1.5035 C   0  0  0  0  0
    3.8627   -1.5451    1.0121 H   0  0  0  0  0
    2.2446   -2.2453    0.9502 H   0  0  0  0  0
    2.7067   -1.1806    2.2898 H   0  0  0  0  0
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    0.8584    0.4392    2.6660 H   0  0  0  0  0
   -1.1282    0.8707    4.0660 H   0  0  0  0  0
   -3.5724    1.0896    4.2864 H   0  0  0  0  0
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   -4.0573    0.2298    0.1137 H   0  0  0  0  0
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    0.3799   -0.4150   -1.5296 H   0  0  0  0  0
    2.3676    1.9418    0.8706 H   0  0  0  0  0
    5.8074    2.8256    0.9360 H   0  0  0  0  0
    4.6407    2.6434    2.2965 H   0  0  0  0  0
    5.6264    4.5717    2.7225 H   0  0  0  0  0
    5.9856    6.9115    3.3168 H   0  0  0  0  0
    4.8850    8.7131    2.0632 H   0  0  0  0  0
    2.9965    5.7613   -0.4663 H   0  0  0  0  0
    3.5067    9.3890    0.3829 H   0  0  0  0  0
    2.0748   10.5502   -0.7001 H   0  0  0  0  0
    0.9242    9.7795   -1.7992 H   0  0  0  0  0
    2.5868   10.1296   -2.3540 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2 13  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  3 12  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
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  5 10  1  0  0  0
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  6  7  1  0  0  0
  6 33  1  0  0  0
  7  8  2  0  0  0
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  9 36  1  0  0  0
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 14 15  2  0  0  0
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 27 49  1  0  0  0
M  END

>  <Chemical Name>
MLS001177268

>  <PubChem CID>
16338637

>  <Formula>
C22H22N2O3

>  <Molecular Weight>
362.429000

>  <IUPAC Name>
2-(3-acetamidophenoxy)-N-(1-naphthalen-2-ylethyl)acetamide

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C1=CC2=CC=CC=C2C=C1)NC(=O)COC3=CC=CC(=C3)NC(=O)C

>  <Isomeric SMILES>
CC(C1=CC2=CC=CC=C2C=C1)NC(=O)COC3=CC=CC(=C3)NC(=O)C

>  <InChI Std. ID>
InChI=1S/C22H22N2O3/c1-15(18-11-10-17-6-3-4-7-19(17)12-18)23-22(26)14-27-21-9-5-8-20(13-21)24-16(2)25/h3-13,15H,14H2,1-2H3,(H,23,26)(H,24,25)

>  <InChI Key>
ABSPCBSIRGQAKA-UHFFFAOYSA-N

