
 CHEMBL274393

 59 62  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL274393

>  <PubChem CID>
15290495

>  <Formula>
C27H28O4

>  <Molecular Weight>
416.517000

>  <IUPAC Name>
2-[[6-(2-benzhydryloxyethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC2=C(CC1CCOC(C3=CC=CC=C3)C4=CC=CC=C4)C=CC=C2OCC(=O)O

>  <Isomeric SMILES>
C1CC2=C(CC1CCOC(C3=CC=CC=C3)C4=CC=CC=C4)C=CC=C2OCC(=O)O

>  <InChI Std. ID>
InChI=1S/C27H28O4/c28-26(29)19-31-25-13-7-12-23-18-20(14-15-24(23)25)16-17-30-27(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13,20,27H,14-19H2,(H,28,29)

>  <InChI Key>
CEMBDAWWHLBIGR-UHFFFAOYSA-N

