Molecule FYI-1006249

A

Molecule Summary:

ID: FYI-1006249
Names:
InChIKey: UQHLCRVBHKWQRZ-UHFFFAOYSA-N
SMILES: Oc5ccc4[nH]c2c(CCN3CC1CC(O)OCC1CC23)c4c5

Received at FYIcenter.com on: 2023-12-06

Molecule ID: FYI-1006249 Edit

Molecule Structure InChIKey: UQHLCRVBHKWQRZ-UHFFFAOYSA-N

Molecule Structure SMILES String: Oc5ccc4[nH]c2c(CCN3CC1CC(O)OCC1CC23)c4c5

Download SDF Download SVG Structure in 2D SDF:

FYI-1006249
FYIcenter.com

 23 27  0  0  0  0  0  0  0  0999 V2000
    8.6011   10.8568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3887   10.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1764   10.8568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9638   10.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9638    8.7568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9235    7.8201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4929    6.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8853    6.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7081    5.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1387    4.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7464    4.1296    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770    2.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1764    8.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 22  2  0  0  0  0
 23  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006249-3D
FYIcenter.com

 45 49  0  0  1  0  0  0  0  0999 V2000
    1.0278   -0.1237    0.1752 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3868   -0.1290    0.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1073   -1.3125   -0.1256 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5045   -1.2857   -0.2774 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1489   -0.0355   -0.2429 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4847    0.3280   -0.3493 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6283    1.6860   -0.1288 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3688    2.1534    0.1673 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1160    3.4766    0.7380 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4216    4.1886    1.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7446    3.5422    1.0235 N   0  0  3  0  0  0  0  0  0  0  0  0
    8.7706    4.5912    0.8785 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7532    5.3620   -0.4753 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0419    6.7377   -0.4739 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6472    6.7904   -1.0899 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3057    8.1492   -1.3063 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6387    6.1383   -2.3414 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9750    4.7537   -2.2846 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3492    4.4635   -1.6638 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5405    2.9624   -1.3247 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9082    2.4717    0.0104 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4220    1.1326   -0.0206 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0285    1.0940    0.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3 25  1  0  0  0  0
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 23 45  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-14, 274👍, 0💬