Molecule Editor

Molecule ID: FYI-1005739 Edit

Molecule Structure InChIKey: ADNCMUUXIVQCLS-QFGBMDHOSA-N

Molecule Structure SMILES String: CC=C(C)C(=O)OC1CC2CC(C(C1)N2C)OC(=O)C(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1005739
FYIcenter.com

 49 50  0     1  0  0  0  0  0999 V2000
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    3.5435   -0.3627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4202    2.0947    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.9424    0.1462    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6836    1.1121    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5435   -0.3627    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2846    0.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1634   -0.7195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7168    0.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9925   -0.1603    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.0435   -1.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5435   -2.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6379   -0.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5435   -2.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8115   -1.1864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4039    0.4412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 37  1  0  0  0  0
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 21 22  1  0  0  0  0
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 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005739-3D
FYIcenter.com

 49 50  0     1  0  0  0  0  0999 V2000
   -2.5929   -0.0023    0.2515 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8523    0.3032    0.3182 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0265   -2.2279    0.0371 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0392    0.8672   -0.1292 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2353    2.6290   -0.1315 N   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0109    1.6788    0.9664 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3657    2.1372   -1.2034 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2144    0.3566    0.2106 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8015    0.6654   -1.2369 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4157    1.7950    1.5466 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1321    2.2948   -0.8646 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5243    1.6827    0.4893 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.1526    0.0367    0.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.9365   -1.5021   -1.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6916   -2.8999    0.8637 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1651   -2.2612   -0.5872 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5589   -1.9119    0.1671 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$