
 MLS000733666

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M  END

>  <Chemical Name>
MLS000733666

>  <PubChem CID>
16191320

>  <Formula>
C25H29NO3

>  <Molecular Weight>
391.511000

>  <IUPAC Name>
[1-[[2-(furan-2-yl)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=CC=CC(=C1)CC2(CCCN(C2)CC3=CC=CC=C3C4=CC=CO4)CO

>  <Isomeric SMILES>
COC1=CC=CC(=C1)CC2(CCCN(C2)CC3=CC=CC=C3C4=CC=CO4)CO

>  <InChI Std. ID>
InChI=1S/C25H29NO3/c1-28-22-9-4-7-20(15-22)16-25(19-27)12-6-13-26(18-25)17-21-8-2-3-10-23(21)24-11-5-14-29-24/h2-5,7-11,14-15,27H,6,12-13,16-19H2,1H3

>  <InChI Key>
BIYPQECYHGGIJC-UHFFFAOYSA-N

