
 CHEMBL3809808

 58 61  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3809808

>  <PubChem CID>
127043062

>  <Formula>
C26H29NO2

>  <Molecular Weight>
387.523000

>  <IUPAC Name>
(1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-6-phenyl-3,4-dihydro-2H-naphthalen-1-ol

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN(C)CC1CCC2=C(C1(C3=CC(=CC=C3)OC)O)C=CC(=C2)C4=CC=CC=C4

>  <Isomeric SMILES>
CN(C)C[C@H]1CCC2=C([C@@]1(C3=CC(=CC=C3)OC)O)C=CC(=C2)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C26H29NO2/c1-27(2)18-23-14-12-21-16-20(19-8-5-4-6-9-19)13-15-25(21)26(23,28)22-10-7-11-24(17-22)29-3/h4-11,13,15-17,23,28H,12,14,18H2,1-3H3/t23-,26+/m1/s1

>  <InChI Key>
AEZZBALZRVGGDH-BVAGGSTKSA-N

