Molecule FYI-1014163

A

Molecule Summary:

ID: FYI-1014163
Names:
InChIKey: ZLJVDFMPHYWVJP-UHFFFAOYSA-N
SMILES: CC(C)(C)c2cc(C(=O)NNC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)cc(C(C)(C)C)c2O

Received at FYIcenter.com on: 2025-03-07

Molecule ID: FYI-1014163 Edit

Molecule Structure InChIKey: ZLJVDFMPHYWVJP-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)c2cc(C(=O)NNC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)cc(C(C)(C)C)c2O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014163
FYIcenter.com

 36 37  0  0  0  0  0  0  0  0999 V2000
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   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
    2.4248    4.9000    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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   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
    0.5124    4.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    7.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    7.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    7.7001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    5.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    9.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    9.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    9.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243   10.5001    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  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
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11  8  1  0  0  0  0
 12  5  1  0  0  0  0
 13  4  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 13  1  0  0  0  0
  1 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  1 21  2  0  0  0  0
 19 22  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 20 27  1  0  0  0  0
 20 23  2  0  0  0  0
 25 28  1  0  0  0  0
 24 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 26 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014163-3D
FYIcenter.com

 80 81  0     0  0  0  0  0  0999 V2000
   -6.9994    0.4838   -0.1038 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0033   -0.4799   -0.1025 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0679   -1.4784    0.9316 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0696    1.4759    0.9330 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6761    0.1143   -0.7035 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6795   -0.1164   -0.7027 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1926    2.5536   -0.8336 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1987   -2.5508   -0.8343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2242   -2.1387    0.7588 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1962    2.1094    0.7508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7386    1.2018   -0.3904 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7433   -1.2000   -0.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2211   -1.0401    0.3695 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2233    1.0418    0.3719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6631    0.2172   -0.0421 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6666   -0.2147   -0.0409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3721    0.9291   -0.3271 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3765   -0.9288   -0.3266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8546   -1.3129    0.4328 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8565    1.3130    0.4350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0299    3.2597    0.2766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0941    2.5714   -2.1117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9790    3.4746   -1.1669 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9861   -3.4730   -1.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0366   -3.2570    0.2755 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1004   -2.5668   -2.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4612   -3.4161    1.1714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1370   -2.4590   -0.4446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1443   -1.7552    1.9399 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4608    3.4173    1.1756 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1379    2.4633   -0.4409 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1456    1.7576    1.9430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9301   -0.3283    0.0845 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9330    0.3278    0.0858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5055   -0.6129    0.1519 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4769    0.6171    0.1547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6242    1.6768   -0.5506 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6291   -1.6767   -0.5506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4520   -2.2702    0.7394 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4520    2.2696    0.7419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1784    4.3194    0.0352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0283    2.8353    0.4069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5145    3.2144    1.2433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3321    3.5968   -2.4176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5805    2.0814   -2.9471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0447    2.0508   -1.9646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3290    4.4643   -1.4886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3425    3.6564   -0.2925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3741    3.0849   -1.9946 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3362   -4.4634   -1.4878 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3480   -3.6540   -0.2951 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3822   -3.0842   -1.9973 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2211   -4.3037    0.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0161   -2.8359    0.5021 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4740   -3.2730    1.2176 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2988   -3.5985   -2.4294 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5733   -2.0731   -2.9385 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0754   -2.0862   -2.0425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1713   -4.2102    1.4379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8566   -3.8275    0.3541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8348   -3.2644    2.0587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7561   -3.3401   -0.2359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8273   -1.6509   -0.7013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5438   -2.6835   -1.3393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7217   -2.6210    2.2859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5556   -1.3885    2.7888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8749   -0.9833    1.6864 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1891    4.1951    1.4403 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8594    3.8391    0.3613 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8348    3.2734    2.0644 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7476    3.3448   -0.2082 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8346    1.6607   -0.6977 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5546    2.6968   -1.3397 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7794    2.6101    2.2138 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5601    1.4793    2.8272 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8121    0.9202    1.7175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2637    0.7641    0.7895 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2376   -1.3320   -0.4685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0038    0.7761   -1.3984 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0139   -0.7754   -1.3968 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 77  1  0  0  0  0
  2 16  1  0  0  0  0
  2 78  1  0  0  0  0
  3 35  2  0  0  0  0
  4 36  2  0  0  0  0
  5  6  1  0  0  0  0
  5 35  1  0  0  0  0
  5 79  1  0  0  0  0
  6 36  1  0  0  0  0
  6 80  1  0  0  0  0
  7 11  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 12  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 13  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 14  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 15  2  0  0  0  0
 11 17  1  0  0  0  0
 12 16  2  0  0  0  0
 12 18  1  0  0  0  0
 13 15  1  0  0  0  0
 13 19  2  0  0  0  0
 14 16  1  0  0  0  0
 14 20  2  0  0  0  0
 17 33  2  0  0  0  0
 17 37  1  0  0  0  0
 18 34  2  0  0  0  0
 18 38  1  0  0  0  0
 19 33  1  0  0  0  0
 19 39  1  0  0  0  0
 20 34  1  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
 23 47  1  0  0  0  0
 23 48  1  0  0  0  0
 23 49  1  0  0  0  0
 24 50  1  0  0  0  0
 24 51  1  0  0  0  0
 24 52  1  0  0  0  0
 25 53  1  0  0  0  0
 25 54  1  0  0  0  0
 25 55  1  0  0  0  0
 26 56  1  0  0  0  0
 26 57  1  0  0  0  0
 26 58  1  0  0  0  0
 27 59  1  0  0  0  0
 27 60  1  0  0  0  0
 27 61  1  0  0  0  0
 28 62  1  0  0  0  0
 28 63  1  0  0  0  0
 28 64  1  0  0  0  0
 29 65  1  0  0  0  0
 29 66  1  0  0  0  0
 29 67  1  0  0  0  0
 30 68  1  0  0  0  0
 30 69  1  0  0  0  0
 30 70  1  0  0  0  0
 31 71  1  0  0  0  0
 31 72  1  0  0  0  0
 31 73  1  0  0  0  0
 32 74  1  0  0  0  0
 32 75  1  0  0  0  0
 32 76  1  0  0  0  0
 33 35  1  0  0  0  0
 34 36  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-26, 573👍, 0💬