
 SC-50073

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M  END

>  <Chemical Name>
SC-50073

>  <PubChem CID>
15817161

>  <Formula>
C28H37NO7

>  <Molecular Weight>
499.604000

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

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

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

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

>  <InChI Std. ID>
InChI=1S/C28H37NO7/c1-5-8-19-22(13-10-18-11-14-24(28(31)32)36-25(18)19)34-16-7-17-35-23-15-12-21(27(30)29-3)26(33-4)20(23)9-6-2/h10,12-13,15,24H,5-9,11,14,16-17H2,1-4H3,(H,29,30)(H,31,32)

>  <InChI Key>
CIIUJGWVQJRIPP-UHFFFAOYSA-N

