
 CHEMBL488337

 51 52  0  0  0  0  0  0  0  0999 V2000
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    0.3549    3.0149    6.4183 O   0  0  0  0  0
    1.5870    3.6560    6.7393 C   0  0  0  0  0
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    2.7475    1.0496    1.7509 H   0  0  0  0  0
    1.9685   -1.8344    1.3994 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL488337

>  <PubChem CID>
15461660

>  <Formula>
C20H27NO3

>  <Molecular Weight>
329.440000

>  <IUPAC Name>
1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-phenoxypropan-2-ol

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)(CC1=CC=C(C=C1)OC)NCC(COC2=CC=CC=C2)O

>  <Isomeric SMILES>
CC(C)(CC1=CC=C(C=C1)OC)NCC(COC2=CC=CC=C2)O

>  <InChI Std. ID>
InChI=1S/C20H27NO3/c1-20(2,13-16-9-11-18(23-3)12-10-16)21-14-17(22)15-24-19-7-5-4-6-8-19/h4-12,17,21-22H,13-15H2,1-3H3

>  <InChI Key>
CVLQHWXSSKFZAF-UHFFFAOYSA-N

