Molecule FYI-1000291

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A

Molecule Summary:

ID: FYI-1000291
SMILES: CCN(CC)CCOC(=O)C1=CC=C(C=C1)N

Received at FYIcenter.com on: 2021-03-15

Molecule ID: FYI-1000291 Edit

Molecule Structure SMILES String: CCN(CC)CCOC(=O)C1=CC=C(C=C1)N

Download SDF Download SVG Structure in 2D SDF:

FYI-1000291
FYIcenter.com

 17 17  0  0  0  0  0  0  0  0999 V2000
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    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    2.8000    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    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   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  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  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  2  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000291-3D
FYIcenter.com

 37 37  0  0  0  0  0  0  0  0999 V2000
    1.0681    0.1327    0.4186 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5754    0.2070    0.1862 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9815    1.0827   -0.9262 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4580    2.4545   -0.8309 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0060    3.3083    0.3081 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4479    1.0012   -1.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9695    1.7681   -2.3286 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4011    1.7178   -2.4041 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8646    1.1478   -3.5360 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4929    0.0850   -4.0072 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7845    2.0962   -4.2298 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2694    1.7638   -5.4958 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0449    2.6819   -6.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3060    3.9555   -5.7004 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8724    4.2584   -4.4077 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1000    3.3484   -3.6814 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1724    4.8274   -6.3667 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8357   -0.6982    1.0933 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5261   -0.0353   -0.5182 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6878    1.0466    0.8852 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9112   -0.8136   -0.0383 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0659    0.5000    1.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3653    2.4271   -0.7588 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6328    2.9786   -1.7770 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9570    2.7935    1.2720 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4151    4.2261    0.3977 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0444    3.6008    0.1236 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7381   -0.0488   -1.2435 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9774    1.3407   -0.2113 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7399    2.8341   -2.2374 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4952    1.4113   -3.2515 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0408    0.7952   -5.9367 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4321    2.3960   -7.1894 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1189    5.2167   -3.9586 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7477    3.6360   -2.6956 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1912    4.6974   -7.3753 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0607    5.8029   -6.1081 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  2  0  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
M  END
$$$$

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2022-05-31, 2604👍, 0💬