Molecule FYI-1005835

A

Molecule Summary:

ID: FYI-1005835
Names:
InChIKey: JXJZUWWNFLCBHB-UHFFFAOYSA-N
SMILES: CCNC(=O)C2(C)CCN(C(=O)c1ccc(OC)c(OC)c1)C2

Received at FYIcenter.com on: 2023-11-17

Molecule ID: FYI-1005835 Edit

Molecule Structure InChIKey: JXJZUWWNFLCBHB-UHFFFAOYSA-N

Molecule Structure SMILES String: CCNC(=O)C2(C)CCN(C(=O)c1ccc(OC)c(OC)c1)C2

Download SDF Download SVG Structure in 2D SDF:

FYI-1005835
FYIcenter.com

 23 24  0  0  0  0  0  0  0  0999 V2000
    8.3272    7.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1148    8.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9024    7.4928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6899    8.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6899    9.5928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4775    7.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6516    6.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1986    8.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2617    7.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6075    3.5441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 10  1  0  0  0  0
 23  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005835-3D
FYIcenter.com

 47 48  0     1  0  0  0  0  0999 V2000
    4.0836   -0.4400    0.7074 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2007    2.2303    2.2665 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0628   -2.1510    0.6859 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7124   -0.6785   -0.9988 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0891    1.5519    0.4572 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9626   -1.6683   -0.9216 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8159    0.7293   -0.9549 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3114    1.9773   -0.2134 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2941    0.8112   -0.7900 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3362    2.1164    0.9473 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2437    0.7135   -2.4185 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3590   -0.5063   -0.2821 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-11-23, 1187👍, 0💬