Molecule FYI-1005699

A

Molecule Summary:

ID: FYI-1005699
Names:
InChIKey: TXHFIFDCAXSCTE-HYBUGGRVSA-N
SMILES: CCN(CC)C(=O)[C@@H]3C=C1c4cccc5[nH]cc(C[C@H]1N(OCc2ccccc2)C3)c45

Received at FYIcenter.com on: 2023-11-11

Molecule ID: FYI-1005699 Edit

Molecule Structure InChIKey: TXHFIFDCAXSCTE-HYBUGGRVSA-N

Molecule Structure SMILES String: CCN(CC)C(=O)[C@@H]3C=C1c4cccc5[nH]cc(C[C@H]1N(OCc2ccccc2)C3)c45

Download SDF Download SVG Structure in 2D SDF:

FYI-1005699
FYIcenter.com

 31 35  0  0  1  0  0  0  0  0999 V2000
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    4.8409   10.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4205    9.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2102    8.3846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 31 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005699-3D
FYIcenter.com

 60 64  0  0  1  0  0  0  0  0999 V2000
    2.0087    0.3755   -0.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3256   -0.4601    0.6036 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6319   -1.8999    0.3548 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5955   -2.8843    0.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2003   -2.4516    0.5672 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8134   -2.1598   -0.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3821   -1.1716   -0.7862 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5081   -3.6709   -0.3732 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-11-18, 2470👍, 0💬