Molecule FYI-1008832

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A

Molecule Summary:

ID: FYI-1008832
Names:
InChIKey: TZBLZLGJLHFAFH-UHFFFAOYSA-N
SMILES: CCOc1ccccc1C(=O)NC(C)C

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008832 Edit

Molecule Structure InChIKey: TZBLZLGJLHFAFH-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOc1ccccc1C(=O)NC(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1008832
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    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
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    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
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   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
    1.2124    4.2000    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
  2  1  1  0  0  0  0
  3  2  1  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
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008832-3D
FYIcenter.com

 32 32  0     0  0  0  0  0  0999 V2000
   -0.1737   -1.4222   -0.5235 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6978    2.4710   -0.4525 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4915    0.4036    0.2358 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8927    0.7477    0.2225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8971    0.8078   -0.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4869    0.4943   -1.1568 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6438   -0.0270    1.2982 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4986    1.3089   -0.1083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1614   -0.5301   -0.2299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8951    1.7151    0.2781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4787   -0.9804   -0.1418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2123    1.2647    0.3661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5042   -0.0829    0.1561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3690   -2.7684   -0.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9799   -3.4020    0.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9842    1.8179    0.4441 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2456   -0.5401    0.5142 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5463    0.7694   -1.1836 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4007   -0.5615   -1.4374 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9669    1.0807   -1.9221 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2184    0.1718    2.2880 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7009    0.2575    1.3198 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5850   -1.1075    1.1253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6854    2.7668    0.4498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7568   -2.0134   -0.3276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0110    1.9634    0.5978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5309   -0.4316    0.2181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9455   -2.8241    0.8359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8878   -3.3245   -0.8845 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8688   -4.4499    0.4628 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6144   -3.3489   -0.7209 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5071   -2.8694    0.9683 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 14  1  0  0  0  0
  2  8  2  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3 17  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 16  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  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
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 24  1  0  0  0  0
 11 13  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  2  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
M  END
$$$$

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2024-04-29, 1125👍, 0💬