Molecule FYI-1009370

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A

Molecule Summary:

ID: FYI-1009370
Names:
InChIKey: SESKPEAQNZOTDC-UHFFFAOYSA-N
SMILES: O=C(O)C2C=CC1NCC(=O)NC1C2

Received at FYIcenter.com on: 2024-05-09

Molecule ID: FYI-1009370 Edit

Molecule Structure InChIKey: SESKPEAQNZOTDC-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)C2C=CC1NCC(=O)NC1C2

Download SDF Download SVG Structure in 2D SDF:

FYI-1009370
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    6.0622    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 13  7  1  0  0  0  0
 14 13  1  0  0  0  0
 14  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009370-3D
FYIcenter.com

 26 27  0  0  1  0  0  0  0  0999 V2000
    2.0577    0.2799    2.6172 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7470   -0.7294    2.6926 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3839   -1.8025    3.4311 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0793   -0.9236    1.9802 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9749   -2.0847    0.9851 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1179   -2.3678    0.3217 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6513   -1.2131   -0.5105 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8952   -1.5918   -1.1906 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5784   -0.4123   -1.7722 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7122    0.7158   -0.7340 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7790    1.1695   -0.3405 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4733    1.1198   -0.2173 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8617   -0.0013    0.4720 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5605    0.3391    1.2232 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0144   -2.5468    3.3772 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8147   -1.1623    2.7600 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0919   -1.9299    0.3525 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9439   -2.7462    0.9377 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9105   -0.9418   -1.2768 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6873   -2.2556   -1.9361 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0268   -0.0283   -2.6379 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5792   -0.7032   -2.1057 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8627    1.4367   -0.9622 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5976   -0.3028    1.2350 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7954    0.6897    0.5172 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7301    1.1633    1.9275 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  2  3  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
M  END
$$$$

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2024-05-15, 1101👍, 0💬