
 CHEMBL168658

 72 75  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL168658

>  <PubChem CID>
11756030

>  <Formula>
C29H35NO7

>  <Molecular Weight>
509.599000

>  <IUPAC Name>
7-[3-[3-methoxy-4-(1,3-oxazol-4-yl)-2-propylphenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid

>  <XlogP>
6.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CCCC1=C(C=CC2=C1OC(CC2)C(=O)O)OCCCOC3=C(C(=C(C=C3)C4=COC=N4)OC)CCC

>  <Isomeric SMILES>
CCCC1=C(C=CC2=C1OC(CC2)C(=O)O)OCCCOC3=C(C(=C(C=C3)C4=COC=N4)OC)CCC

>  <InChI Std. ID>
InChI=1S/C29H35NO7/c1-4-7-21-24(12-9-19-10-13-26(29(31)32)37-27(19)21)35-15-6-16-36-25-14-11-20(23-17-34-18-30-23)28(33-3)22(25)8-5-2/h9,11-12,14,17-18,26H,4-8,10,13,15-16H2,1-3H3,(H,31,32)

>  <InChI Key>
DWDDHNWBAVHITQ-UHFFFAOYSA-N

