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M  END

>  <Chemical Name>
MLS000086404

>  <PubChem CID>
3239469

>  <Formula>
C25H25N3O6

>  <Molecular Weight>
463.490000

>  <IUPAC Name>


>  <XlogP>
3.300

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
C1CN(CCC12OCCO2)C3=CC(=C4C5=C(C6=CC=CC=C6C4=O)ON=C35)NCCCC(=O)O

>  <Isomeric SMILES>
C1CN(CCC12OCCO2)C3=CC(=C4C5=C(C6=CC=CC=C6C4=O)ON=C35)NCCCC(=O)O

>  <InChI Std. ID>
InChI=1S/C25H25N3O6/c29-19(30)6-3-9-26-17-14-18(28-10-7-25(8-11-28)32-12-13-33-25)22-21-20(17)23(31)15-4-1-2-5-16(15)24(21)34-27-22/h1-2,4-5,14,26H,3,6-13H2,(H,29,30)

>  <InChI Key>
BBPLHURIVUXONI-UHFFFAOYSA-N

