
 MLS000879430

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M  END

>  <Chemical Name>
MLS000879430

>  <PubChem CID>
16746296

>  <Formula>
C32H35NO5

>  <Molecular Weight>
513.634000

>  <IUPAC Name>
5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-piperidin-1-ylpropyl]-4-phenylchromen-2-one

>  <XlogP>
6.000

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=CC=C(C=C1)C(CCN2CCCCC2)C3=C(C=C(C4=C3OC(=O)C=C4C5=CC=CC=C5)OC)OC

>  <Isomeric SMILES>
COC1=CC=C(C=C1)C(CCN2CCCCC2)C3=C(C=C(C4=C3OC(=O)C=C4C5=CC=CC=C5)OC)OC

>  <InChI Std. ID>
InChI=1S/C32H35NO5/c1-35-24-14-12-23(13-15-24)25(16-19-33-17-8-5-9-18-33)30-27(36-2)21-28(37-3)31-26(20-29(34)38-32(30)31)22-10-6-4-7-11-22/h4,6-7,10-15,20-21,25H,5,8-9,16-19H2,1-3H3

>  <InChI Key>
BYWUJRKZXJZLPA-UHFFFAOYSA-N

