
 MLS000766163

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    4.1945    3.8442    0.6783 C   0  0  0  0  0
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    6.7949    3.8408   -0.2674 C   0  0  0  0  0
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    7.6242    8.6025    0.3581 C   0  0  0  0  0
    8.2617    8.7326   -0.8287 N   0  0  0  0  0
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    7.5861    9.6189    1.3024 C   0  0  0  0  0
    9.5156   12.1835   -0.5730 C   0  0  0  0  0
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   10.7183   13.5417   -2.0305 O   0  0  0  0  0
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    2.8023    0.7978    3.0763 H   0  0  0  0  0
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M  END

>  <Chemical Name>
MLS000766163

>  <PubChem CID>
6300604

>  <Formula>
C25H30N2O

>  <Molecular Weight>
374.528000

>  <IUPAC Name>
4-[(E)-2-(6-ethoxyquinolin-2-yl)ethenyl]-N,N-dipropylaniline

>  <XlogP>
6.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCN(CCC)C1=CC=C(C=C1)C=CC2=NC3=C(C=C2)C=C(C=C3)OCC

>  <Isomeric SMILES>
CCCN(CCC)C1=CC=C(C=C1)/C=C/C2=NC3=C(C=C2)C=C(C=C3)OCC

>  <InChI Std. ID>
InChI=1S/C25H30N2O/c1-4-17-27(18-5-2)23-13-8-20(9-14-23)7-11-22-12-10-21-19-24(28-6-3)15-16-25(21)26-22/h7-16,19H,4-6,17-18H2,1-3H3/b11-7+

>  <InChI Key>
BAXMFOTYCJGOCE-YRNVUSSQSA-N

