Molecule Editor

Molecule ID: FYI-1006071 Edit

Molecule Structure InChIKey: JZEPGIHACXZLFL-ABEMTERESA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1006071
FYIcenter.com

 43 44  0     1  0  0  0  0  0999 V2000
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    2.6678   -0.7957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6489    0.6923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5445    1.6617    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.0667   -0.2868    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8079    0.6791    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6678   -0.7957    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4090    0.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2878   -1.1525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8412    0.3679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1168   -0.5933    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   12.2559   -0.9164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006071-3D
FYIcenter.com

 43 44  0     1  0  0  0  0  0999 V2000
   -2.4403    1.4165    0.4428 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2976   -0.9507    0.1711 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1951    2.8700   -0.8508 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8656   -1.2308   -1.4920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4524   -1.6653   -0.2676 N   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7491   -0.5147   -0.8693 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6995   -1.8942    0.9767 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4349    0.4185    0.3086 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4512   -0.4900    1.5399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4644   -1.1003   -1.4975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3973   -2.6161    0.5676 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4202   -1.8602   -0.4925 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8726   -1.4209   -0.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1901    2.6012   -0.1913 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4941   -0.7258   -0.4421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3275    3.5504    0.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2945    0.2454    0.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1241    0.2437    1.8539 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1377    1.0306   -0.3319 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0407    2.0928    0.2106 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1870    0.9296   -1.4151 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8789    2.3039    1.2697 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$