
 CHEMBL497281

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

>  <Chemical Name>
CHEMBL497281

>  <PubChem CID>
24949416

>  <Formula>
C26H26ClNO4

>  <Molecular Weight>
451.947000

>  <IUPAC Name>
2-[3-[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]phenoxy]acetic acid

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC2=C(CC1NCC(C3=CC(=CC=C3)Cl)O)C=C(C=C2)C4=CC(=CC=C4)OCC(=O)O

>  <Isomeric SMILES>
C1CC2=C(C[C@H]1NC[C@@H](C3=CC(=CC=C3)Cl)O)C=C(C=C2)C4=CC(=CC=C4)OCC(=O)O

>  <InChI Std. ID>
InChI=1S/C26H26ClNO4/c27-22-5-1-4-20(12-22)25(29)15-28-23-10-9-17-7-8-19(11-21(17)13-23)18-3-2-6-24(14-18)32-16-26(30)31/h1-8,11-12,14,23,25,28-29H,9-10,13,15-16H2,(H,30,31)/t23-,25-/m0/s1

>  <InChI Key>
BAHMSWMBSNWHJY-ZCYQVOJMSA-N

