Molecule FYI-1009160

A

Molecule Summary:

ID: FYI-1009160
Names:
InChIKey: MTTLBJUKSRDYTF-AWEZNQCLSA-N
SMILES: CCOC(=O)[C@@H]1CCCN1CC(=O)Nc3cc2ccccc2oc3=O

Received at FYIcenter.com on: 2024-05-03

Molecule ID: FYI-1009160 Edit

Molecule Structure InChIKey: MTTLBJUKSRDYTF-AWEZNQCLSA-N

Molecule Structure SMILES String: CCOC(=O)[C@@H]1CCCN1CC(=O)Nc3cc2ccccc2oc3=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1009160
FYIcenter.com

 25 27  0  0  1  0  0  0  0  0999 V2000
   10.2291    4.9756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2696    4.0389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6010    4.4715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6415    3.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9729    3.9673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9784    2.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    1.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2153    0.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8458    0.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  6  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
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 24 15  1  0  0  0  0
 25 24  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009160-3D
FYIcenter.com

 45 47  0  0  1  0  0  0  0  0999 V2000
    0.1280    3.1128    4.0318 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3392    3.9560    4.3742 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4655    3.6388    3.5421 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7844    4.5494    2.5842 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0314    5.4206    2.1609 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2525    4.3892    2.1758 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9158    5.7317    1.9150 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1935    5.3338    1.2151 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8282    4.0773    0.4387 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5394    3.5555    0.9686 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4804    3.6332   -0.0627 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7973    2.7531   -1.2832 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4897    3.1256   -2.4152 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3708    1.5279   -0.9904 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8184    0.5821   -1.9009 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1471    0.8658   -3.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6138   -0.1713   -4.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0787    0.1239   -5.3548 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4901   -0.9069   -6.2032 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4127   -2.2362   -5.7809 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9519   -2.5365   -4.4986 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5794   -1.4954   -3.6510 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2125   -1.8183   -2.3318 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9637   -0.8198   -1.3943 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8171   -1.0737   -0.2001 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3714    2.0461    4.0566 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6509    3.7349    5.4008 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0925    5.0230    4.3416 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7734    3.9207    3.0232 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1111    6.2863    2.8388 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3065    6.3723    1.2640 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9703    5.1064    1.9556 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5663    6.1322    0.5672 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6062    3.3143    0.5657 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7863    4.3105   -0.6288 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3471    4.6634   -0.4143 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5253    3.2666    0.3316 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3698    1.2461   -0.0093 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0920    1.8726   -3.5664 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1340    1.1535   -5.7016 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8683   -0.6724   -7.1955 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7233   -3.0356   -6.4493 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8981   -3.5677   -4.1632 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 31  1  1  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 40  1  0  0  0  0
 15 16  2  0  0  0  0
 15 24  1  0  0  0  0
 16 17  1  0  0  0  0
 16 41  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  2  0  0  0  0
 18 19  2  0  0  0  0
 18 42  1  0  0  0  0
 19 20  1  0  0  0  0
 19 43  1  0  0  0  0
 20 21  2  0  0  0  0
 20 44  1  0  0  0  0
 21 22  1  0  0  0  0
 21 45  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
$$$$

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2024-05-05, 1658👍, 0💬