
 CHEMBL15817

 71 73  0  0  0  0  0  0  0  0999 V2000
    1.6579   -3.3593   -5.9670 C   0  0  0  0  0
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    3.1918    1.8745   -5.6442 H   0  0  0  0  0
    3.2408    1.2292   -9.5100 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL15817

>  <PubChem CID>
44270188

>  <Formula>
C28H36O7

>  <Molecular Weight>
484.589000

>  <IUPAC Name>
6-[3-(4-acetyl-3-methoxy-2-propylphenoxy)propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCCC1=C2C(=CC(=C1)OCCCOC3=C(C(=C(C=C3)C(=O)C)OC)CCC)CCC(O2)C(=O)O

>  <Isomeric SMILES>
CCCC1=C2C(=CC(=C1)OCCCOC3=C(C(=C(C=C3)C(=O)C)OC)CCC)CCC(O2)C(=O)O

>  <InChI Std. ID>
InChI=1S/C28H36O7/c1-5-8-19-16-21(17-20-10-12-25(28(30)31)35-26(19)20)33-14-7-15-34-24-13-11-22(18(3)29)27(32-4)23(24)9-6-2/h11,13,16-17,25H,5-10,12,14-15H2,1-4H3,(H,30,31)

>  <InChI Key>
DUJZETRWEYFSCU-UHFFFAOYSA-N

