
 920317-71-1

 42 43  0  0  0  0  0  0  0  0999 V2000
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    4.0989   -0.0402   -0.9407 C   0  0  0  0  0
    3.3188   -0.3391   -0.0454 O   0  0  0  0  0
    5.1986    0.7654   -0.7600 N   0  0  0  0  0
    5.5898    1.2343    0.5627 C   0  0  0  0  0
    6.4746    2.4955    0.4836 C   0  0  0  0  0
    6.6524    3.1805    1.8569 C   0  0  0  0  0
    7.3408    2.3770    2.9339 C   0  0  0  0  0
    8.7344    2.4239    3.0745 C   0  0  0  0  0
    9.3685    1.7135    4.0950 C   0  0  0  0  0
    8.6169    0.9478    4.9839 C   0  0  0  0  0
    7.2313    0.8888    4.8505 C   0  0  0  0  0
    6.5955    1.5996    3.8312 C   0  0  0  0  0
    7.7921    2.3145   -0.2647 C   0  0  0  0  0
    8.3035    3.3949   -1.0048 C   0  0  0  0  0
    9.4738    3.2740   -1.7588 C   0  0  0  0  0
   10.1719    2.0691   -1.7516 C   0  0  0  0  0
    9.6953    0.9946   -0.9986 C   0  0  0  0  0
    8.5172    1.1158   -0.2580 C   0  0  0  0  0
    9.8444    4.4043   -2.4339 O   0  0  0  0  0
   10.6703    4.2043   -3.5746 C   0  0  0  0  0
    3.1305    0.1304   -2.8302 H   0  0  0  0  0
    3.5753   -1.5376   -2.3646 H   0  0  0  0  0
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    5.8926    3.2071   -0.1234 H   0  0  0  0  0
    5.6629    3.4785    2.2309 H   0  0  0  0  0
    7.1971    4.1264    1.7298 H   0  0  0  0  0
    9.3357    3.0234    2.3936 H   0  0  0  0  0
   10.4489    1.7646    4.1999 H   0  0  0  0  0
    9.1102    0.4017    5.7834 H   0  0  0  0  0
    6.6433    0.2956    5.5462 H   0  0  0  0  0
    5.5114    1.5511    3.7525 H   0  0  0  0  0
    7.7763    4.3473   -1.0146 H   0  0  0  0  0
   11.0982    1.9429   -2.3015 H   0  0  0  0  0
   10.2481    0.0580   -0.9825 H   0  0  0  0  0
    8.1866    0.2608    0.3272 H   0  0  0  0  0
   10.7572    5.1633   -4.0941 H   0  0  0  0  0
   10.2181    3.4876   -4.2688 H   0  0  0  0  0
   11.6789    3.8917   -3.2854 H   0  0  0  0  0
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  7  8  1  0  0  0
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M  END

>  <Chemical Name>
920317-71-1

>  <PubChem CID>
16094591

>  <Formula>
C18H21NO2

>  <Molecular Weight>
283.371000

>  <IUPAC Name>
N-[2-(3-methoxyphenyl)-3-phenylpropyl]acetamide

>  <XlogP>
3.200

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(=O)NCC(CC1=CC=CC=C1)C2=CC(=CC=C2)OC

>  <Isomeric SMILES>
CC(=O)NCC(CC1=CC=CC=C1)C2=CC(=CC=C2)OC

>  <InChI Std. ID>
InChI=1S/C18H21NO2/c1-14(20)19-13-17(11-15-7-4-3-5-8-15)16-9-6-10-18(12-16)21-2/h3-10,12,17H,11,13H2,1-2H3,(H,19,20)

>  <InChI Key>
AVPVPCXCBSANDG-UHFFFAOYSA-N

