Molecule FYI-1005727

A

Molecule Summary:

ID: FYI-1005727
Names:
InChIKey: IZVZMPYXRCTCEG-UHFFFAOYSA-N
SMILES: CN1C2CC(CC1C(C2)O)OC(=O)C(=C)C3=CC=CC=C3

Received at FYIcenter.com on: 2023-11-11

Molecule ID: FYI-1005727 Edit

Molecule Structure InChIKey: IZVZMPYXRCTCEG-UHFFFAOYSA-N

Molecule Structure SMILES String: CN1C2CC(CC1C(C2)O)OC(=O)C(=C)C3=CC=CC=C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1005727
FYIcenter.com

 42 44  0     1  0  0  0  0  0999 V2000
    9.2890   -0.3173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4003    0.4091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9927   -1.2185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9123    3.0061    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    7.3901    1.0576    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.6489    2.0235    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.7890    0.5488    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.0478    1.5147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1691    0.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6157    1.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3400    0.7511    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4123    3.8722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6584   -4.4827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
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 18 20  2  0  0  0  0
 18 39  1  0  0  0  0
 19 21  2  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 20 41  1  0  0  0  0
 21 42  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005727-3D
FYIcenter.com

 42 44  0     1  0  0  0  0  0999 V2000
   -2.0138   -2.7580   -0.1528 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0752    1.1397   -0.3516 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7764    3.3040    0.0040 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5784   -0.0138   -0.0515 N   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6007   -0.5581   -1.0153 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7340    0.3573    1.0961 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6277   -1.3885   -0.1665 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7512   -0.8100    1.2450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9103    0.6745   -1.6419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0391    1.6812    0.7110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2505    1.6028   -0.6074 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6339   -0.9582    0.3004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9942    2.1022   -0.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3278    1.4732    0.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5548    0.0197    0.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3480    2.2898    0.4735 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3946   -0.7756    1.2195 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9297   -0.5610   -1.1266 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6096   -2.1518    1.1426 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1447   -1.9370   -1.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9845   -2.7324   -0.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 13  1  0  0  0  0
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  5  7  1  0  0  0  0
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 11 31  1  0  0  0  0
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 13 14  1  0  0  0  0
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 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 20 41  1  0  0  0  0
 21 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-18, 1416👍, 0💬