
 A-80426

 53 56  0  0  0  0  0  0  0  0999 V2000
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    3.3692    5.4887    1.0010 H   0  0  0  0  0
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M  END

>  <Chemical Name>
A-80426

>  <PubChem CID>
9928332

>  <Formula>
C23H27NO2

>  <Molecular Weight>
349.474000

>  <IUPAC Name>
2-(1-benzofuran-6-yl)-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN(CCC1=CC2=C(C=C1)C=CO2)CC3CCCC4=C3C=CC=C4OC

>  <Isomeric SMILES>
CN(CCC1=CC2=C(C=C1)C=CO2)C[C@@H]3CCCC4=C3C=CC=C4OC

>  <InChI Std. ID>
InChI=1S/C23H27NO2/c1-24(13-11-17-9-10-18-12-14-26-23(18)15-17)16-19-5-3-7-21-20(19)6-4-8-22(21)25-2/h4,6,8-10,12,14-15,19H,3,5,7,11,13,16H2,1-2H3/t19-/m0/s1

>  <InChI Key>
MHPMXTGKTXJIDI-IBGZPJMESA-N

