Molecule Editor

Molecule ID: FYI-1013295 Edit

Molecule Structure InChIKey: IEYAQSDJLXXPSY-BZSJEYESSA-N

Molecule Structure SMILES String: CCCCCC2CN(Cc1ccc(OC)cc1)C(=O)[C@@H]2O

Download SDF Download SVG Structure in 2D SDF:

FYI-1013295
FYIcenter.com

 21 22  0  0  1  0  0  0  0  0999 V2000
   12.9619    6.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7495    6.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5370    6.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3246    6.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1121    6.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8997    6.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6207    6.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6839    5.6631    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2916    5.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4687    4.6768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0763    4.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2535    3.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2153    2.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0381    3.3978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3839    4.4506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8145    3.1717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7533    4.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7937    3.8049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
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 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
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 18  8  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 20  6  1  0  0  0  0
 20 21  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013295-3D
FYIcenter.com

 46 47  0  0  1  0  0  0  0  0999 V2000
    1.1326   -1.3674   -3.4441 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6402   -1.3693   -3.2535 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0783   -2.0311   -1.9428 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6050   -1.9925   -1.8156 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1185   -2.6418   -0.5256 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6539   -2.6523   -0.4412 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1655   -3.2622    0.8667 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4808   -2.6852    1.0446 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2610   -2.8941    2.2505 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0599   -4.1715    2.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0427   -4.3945    1.2927 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8370   -5.5438    1.3300 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6608   -6.4829    2.3466 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3685   -7.6464    2.5005 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3462   -7.9274    1.5055 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6877   -6.2573    3.3288 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8959   -5.1042    3.2894 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$