
 CHEMBL1092647

 46 47  0  0  0  0  0  0  0  0999 V2000
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    3.3702    0.2356   -0.9079 C   0  0  0  0  0
    4.0760   -0.6965   -0.5375 O   0  0  0  0  0
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    6.4542    2.6800    1.5799 C   0  0  0  0  0
    7.0775    3.8747    0.8999 C   0  0  0  0  0
    6.4430    5.1236    0.9101 C   0  0  0  0  0
    6.9962    6.2274    0.2465 C   0  0  0  0  0
    8.1900    6.0761   -0.4739 C   0  0  0  0  0
    8.8586    4.8460   -0.4322 C   0  0  0  0  0
    8.3052    3.7545    0.2434 C   0  0  0  0  0
    8.6637    7.1438   -1.1899 O   0  0  0  0  0
    9.3565    6.8215   -2.3981 C   0  0  0  0  0
    9.2233    7.9732   -3.3652 C   0  0  0  0  0
    7.9526    8.4038   -3.7763 C   0  0  0  0  0
    7.8189    9.4360   -4.7058 C   0  0  0  0  0
    8.9535   10.0470   -5.2356 C   0  0  0  0  0
   10.2212    9.6290   -4.8342 C   0  0  0  0  0
   10.3571    8.5962   -3.9040 C   0  0  0  0  0
    6.2242    7.3590    0.3213 O   0  0  0  0  0
    6.9344    8.5918    0.3835 C   0  0  0  0  0
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    6.3772    2.8967    2.6527 H   0  0  0  0  0
    5.5006    5.2529    1.4384 H   0  0  0  0  0
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    8.8383    2.8058    0.2389 H   0  0  0  0  0
    8.9438    5.9288   -2.8869 H   0  0  0  0  0
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    8.8498   10.8487   -5.9618 H   0  0  0  0  0
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   11.3545    8.2811   -3.6067 H   0  0  0  0  0
    7.1402    8.9671   -0.6226 H   0  0  0  0  0
    6.2824    9.3220    0.8734 H   0  0  0  0  0
    7.8506    8.5176    0.9795 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1092647

>  <PubChem CID>
46884554

>  <Formula>
C19H23NO3

>  <Molecular Weight>
313.397000

>  <IUPAC Name>
N-[3-(3-methoxy-4-phenylmethoxyphenyl)propyl]acetamide

>  <XlogP>
3.100

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(=O)NCCCC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC

>  <Isomeric SMILES>
CC(=O)NCCCC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC

>  <InChI Std. ID>
InChI=1S/C19H23NO3/c1-15(21)20-12-6-9-16-10-11-18(19(13-16)22-2)23-14-17-7-4-3-5-8-17/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3,(H,20,21)

>  <InChI Key>
CKTYNRYIIZDJHS-UHFFFAOYSA-N

