
 CHEMBL348274

 61 64  0  0  0  0  0  0  0  0999 V2000
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    0.9430    4.5998   -0.0890 H   0  0  0  0  0
    0.7006    2.5664   -1.5761 H   0  0  0  0  0
    2.1500    7.2223   -0.5959 H   0  0  0  0  0
    1.1892    9.1701    0.3953 H   0  0  0  0  0
    2.8835    9.5244    0.0170 H   0  0  0  0  0
    3.2502   10.3361    2.3339 H   0  0  0  0  0
    2.2388   12.6834    3.3405 H   0  0  0  0  0
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    4.7077   -2.3646   -0.4442 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL348274

>  <PubChem CID>
44372205

>  <Formula>
C27H29NO4

>  <Molecular Weight>
431.532000

>  <IUPAC Name>
N-[(2S,3S)-3-hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-3,3-diphenylpropanamide

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=C(C=C2CC(C(CC2=C1)NC(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4)O)OC

>  <Isomeric SMILES>
COC1=C(C=C2C[C@@H]([C@H](CC2=C1)NC(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4)O)OC

>  <InChI Std. ID>
InChI=1S/C27H29NO4/c1-31-25-15-20-13-23(24(29)14-21(20)16-26(25)32-2)28-27(30)17-22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,15-16,22-24,29H,13-14,17H2,1-2H3,(H,28,30)/t23-,24-/m0/s1

>  <InChI Key>
LIIUFGMRRDXIKT-ZEQRLZLVSA-N

