
 SCHEMBL1549396

 63 67  0  0  0  0  0  0  0  0999 V2000
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    6.5656    6.0077   -1.7617 H   0  0  0  0  0
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    9.0899    1.7702   -5.0019 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL1549396

>  <PubChem CID>
16009221

>  <Formula>
C29H26N2O6

>  <Molecular Weight>
498.535000

>  <IUPAC Name>
N-(4-ethoxyphenyl)-2-[7-(4-ethylbenzoyl)-8-oxo-[1,3]dioxolo[4,5-g]quinolin-5-yl]acetamide

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCC1=CC=C(C=C1)C(=O)C2=CN(C3=CC4=C(C=C3C2=O)OCO4)CC(=O)NC5=CC=C(C=C5)OCC

>  <Isomeric SMILES>
CCC1=CC=C(C=C1)C(=O)C2=CN(C3=CC4=C(C=C3C2=O)OCO4)CC(=O)NC5=CC=C(C=C5)OCC

>  <InChI Std. ID>
InChI=1S/C29H26N2O6/c1-3-18-5-7-19(8-6-18)28(33)23-15-31(16-27(32)30-20-9-11-21(12-10-20)35-4-2)24-14-26-25(36-17-37-26)13-22(24)29(23)34/h5-15H,3-4,16-17H2,1-2H3,(H,30,32)

>  <InChI Key>
AHWACUVZVCWBMK-UHFFFAOYSA-N

