Molecule FYI-1004142

A

Molecule Summary:

ID: FYI-1004142
Names:
InChIKey: NVMVEAPSDVAAQG-UHFFFAOYSA-N
SMILES: COC(=O)CCC(Cc1ccccc1)NC(=O)C2(CNC(=O)OC(C)(C)C)CCCCCC2

Received at FYIcenter.com on: 2023-08-17

Molecule ID: FYI-1004142 Edit

Molecule Structure InChIKey: NVMVEAPSDVAAQG-UHFFFAOYSA-N

Molecule Structure SMILES String: COC(=O)CCC(Cc1ccccc1)NC(=O)C2(CNC(=O)OC(C)(C)C)CCCCCC2

Download SDF Download SVG Structure in 2D SDF:

FYI-1004142
FYIcenter.com

 33 34  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    0.0000 O   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
    1.2124    5.5999    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
    4.8497    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2001    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    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.5001    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
   12.1243    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    5.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5491    7.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    8.4001    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
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  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
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 30 33  1  0  0  0  0
 33 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004142-3D
FYIcenter.com

 73 74  0  0  1  0  0  0  0  0999 V2000
    3.3779   -1.8608   -0.1834 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6285   -1.1956   -0.3693 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292   -0.2853    0.6019 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2357   -0.0431    1.5779 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2263    0.4070    0.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6492    1.4141    1.3089 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9999    2.1174    1.0371 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.9964    2.8921   -0.3025 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2959    3.5615   -0.7117 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4702    2.8157   -0.8985 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6213    3.4191   -1.4168 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6156    4.7697   -1.7546 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4635    5.5273   -1.5535 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3121    4.9265   -1.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3004    3.0206    2.1535 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7068    2.5473    3.3799 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7029    1.3373    3.6149 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1330    3.6028    4.4422 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9779    2.8100    5.4980 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2467    1.7509    6.1738 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6252    1.9331    7.3614 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8111    2.8997    8.0867 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7462    0.9264    7.5946 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9353    0.9631    8.7961 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0041    2.1851    8.8145 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0650   -0.3040    8.7584 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8205    0.8982   10.0464 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8746    4.2495    5.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1381    5.4273    6.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1674    6.7878    5.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3327    7.0051    4.3837 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4559    5.9510    3.2878 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0871    4.6424    3.7834 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2443   -2.5614   -1.0125 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5548   -1.1396   -0.2060 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3743   -2.4266    0.7533 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0596    0.9124   -0.7139 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0034   -0.3555    0.1211 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6996    0.8833    2.2681 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8648    2.1710    1.4378 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7898    1.3549    1.0165 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2011    3.6487   -0.2636 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7381    2.2185   -1.1274 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4941    1.7526   -0.6756 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5188    2.8262   -1.5791 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5013    5.2294   -2.1842 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4549    6.5799   -1.8244 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4173    5.5345   -0.9183 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3511    4.0076    1.9536 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3917    3.4888    6.2529 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8285    2.3237    5.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9112    0.9791    5.5985 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3670    2.2047    7.9228 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5541    3.1300    8.8206 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3598    2.1786    9.7003 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4302   -0.3229    7.8650 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4183   -0.3729    9.6404 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6866   -1.2056    8.7170 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4573    1.7809   10.1489 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4929    0.0344    9.9943 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2194    0.8219   10.9577 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3242    3.4849    5.6423 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1640    4.5609    4.3049 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0519    5.2847    6.6190 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3160    5.4608    6.7611 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2122    7.5702    6.1098 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2223    6.9442    4.8062 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2706    7.0734    4.9476 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1932    7.9830    3.9052 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1151    6.3590    2.5113 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4847    5.7981    2.8077 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8995    4.8993    4.4753 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5888    4.1689    2.9283 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 37  1  0  0  0  0
  5 38  1  0  0  0  0
  6  7  1  0  0  0  0
  6 39  1  0  0  0  0
  6 40  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  7 41  1  0  0  0  0
  8  9  1  0  0  0  0
  8 42  1  0  0  0  0
  8 43  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 10 44  1  0  0  0  0
 11 12  1  0  0  0  0
 11 45  1  0  0  0  0
 12 13  2  0  0  0  0
 12 46  1  0  0  0  0
 13 14  1  0  0  0  0
 13 47  1  0  0  0  0
 14 48  1  0  0  0  0
 15 16  1  0  0  0  0
 15 49  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 28  1  0  0  0  0
 18 33  1  0  0  0  0
 19 20  1  0  0  0  0
 19 50  1  0  0  0  0
 19 51  1  0  0  0  0
 20 21  1  0  0  0  0
 20 52  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  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 29  1  0  0  0  0
 28 62  1  0  0  0  0
 28 63  1  0  0  0  0
 29 30  1  0  0  0  0
 29 64  1  0  0  0  0
 29 65  1  0  0  0  0
 30 31  1  0  0  0  0
 30 66  1  0  0  0  0
 30 67  1  0  0  0  0
 31 32  1  0  0  0  0
 31 68  1  0  0  0  0
 31 69  1  0  0  0  0
 32 33  1  0  0  0  0
 32 70  1  0  0  0  0
 32 71  1  0  0  0  0
 33 72  1  0  0  0  0
 33 73  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-25, 2511👍, 0💬