Molecule FYI-1005561

A

Molecule Summary:

ID: FYI-1005561
Names:
InChIKey: OXJLZRMHSFYPOA-UHFFFAOYSA-N
SMILES: CC(=O)c1ccccc1Nc3cc2oc(=O)cc(C)c2cc3CCO

Received at FYIcenter.com on: 2023-11-06

Molecule ID: FYI-1005561 Edit

Molecule Structure InChIKey: OXJLZRMHSFYPOA-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)c1ccccc1Nc3cc2oc(=O)cc(C)c2cc3CCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1005561
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 O   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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 20 13  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 11  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005561-3D
FYIcenter.com

 44 46  0  0  0  0  0  0  0  0999 V2000
    7.7992   -2.2059    3.4638 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7787   -1.1291    3.1963 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0640    0.0650    3.2754 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3888   -1.5362    2.8457 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9125   -2.7947    3.2669 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5893   -3.1752    3.0391 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7363   -2.3211    2.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2121   -1.0933    1.8947 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5251   -0.6458    2.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9380    0.6678    1.7286 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0112    1.7526    1.7376 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1150    1.8383    2.7993 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9469    2.5679    2.6506 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9930    2.3162    3.6418 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3043    2.2880    3.1931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1586    1.5500    3.6640 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6285    3.3122    2.1889 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3111    3.8875    1.4143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1064    4.9561    0.4568 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6829    3.3463    1.5222 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7193    3.4804    0.5857 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9196    2.7053    0.7044 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0673    2.9102   -0.2669 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0752    2.0160   -1.5010 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0176    2.3693   -2.3866 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7977   -1.7595    3.4815 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7799   -2.9512    2.6635 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6132   -2.6761    4.4329 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5467   -3.4892    3.8107 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2231   -4.1336    3.4008 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6972   -2.5976    2.1917 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5182   -0.4548    1.3512 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7818    0.9311    2.2618 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2254    1.2017    3.6727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6798    3.5593    2.1150 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7251    5.4554   -0.0377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6700    5.7310    0.9981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7760    4.5439   -0.3078 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6143    4.1377   -0.2735 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0093    2.7627    0.2778 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0710    3.9625   -0.5783 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0118    0.9528   -1.2512 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0106    2.1690   -2.0490 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4266    1.5978   -2.4335 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  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  2  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  2  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  2  0  0  0  0
 12 13  2  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 39  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
 25 44  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-09, 1957👍, 0💬