Molecule FYI-1006032

A

Molecule Summary:

ID: FYI-1006032
Names:
InChIKey: BBGUDPSCRDUGGE-MDZDMXLPSA-N
SMILES: CC(=O)c2ccc(NC(=O)/C=C/c1ccc(C)o1)cc2

Received at FYIcenter.com on: 2023-11-24

Molecule ID: FYI-1006032 Edit

Molecule Structure InChIKey: BBGUDPSCRDUGGE-MDZDMXLPSA-N

Molecule Structure SMILES String: CC(=O)c2ccc(NC(=O)/C=C/c1ccc(C)o1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1006032
FYIcenter.com

 20 21  0  0  0  0  0  0  0  0999 V2000
   14.5200    4.5247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    4.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4277    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0584    5.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    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    1.4000    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
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.4000    0.0000 C   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
   12.1910    3.6306    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  3  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
 10  8  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  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  2  0  0  0  0
 18 14  1  0  0  0  0
 19 18  2  0  0  0  0
 19 11  1  0  0  0  0
 20  5  1  0  0  0  0
 20  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006032-3D
FYIcenter.com

 35 36  0     0  0  0  0  0  0999 V2000
    4.6841   -0.7615    0.0158 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7772   -1.1221   -0.0144 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2639    1.7797    0.0213 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4317   -0.4680    0.0041 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8240   -0.3769    0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6078   -0.1961   -0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4418    0.8737    0.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -1.5372   -0.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8337    0.9641    0.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9901   -1.4468   -0.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3554    0.5253   -0.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0427   -0.7647   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3955    1.3701   -0.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5284    0.5219   -0.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9364    0.9222    0.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0590   -0.1024   -0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5022    0.5776    0.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9061    0.0635    0.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6901   -2.0839    0.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7414    1.2613    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9114    1.8155    0.0151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1301   -2.5183   -0.0124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2746    1.9562    0.0114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5716   -2.3649   -0.0165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0666   -1.4183   -0.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3858    2.4507   -0.0511 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5686    0.8148   -0.0481 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7516    1.9939    0.0041 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0623   -1.0103    0.0124 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7804   -1.9895    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4108   -2.6379    0.9173 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3882   -2.6714   -0.8568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4722    1.8230   -0.8978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4768    1.8123    0.9065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8267    1.1184   -0.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2 16  2  0  0  0  0
  3 17  2  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  4 25  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 16  1  0  0  0  0
  7  9  1  0  0  0  0
  7 21  1  0  0  0  0
  8 10  2  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 13  2  0  0  0  0
 11 15  1  0  0  0  0
 12 14  2  0  0  0  0
 12 19  1  0  0  0  0
 13 14  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 18  2  0  0  0  0
 15 28  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 18 29  1  0  0  0  0
 19 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
 20 33  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
M  END
$$$$

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2023-12-01, 1040👍, 0💬