
 SCHEMBL3498008

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M  END

>  <Chemical Name>
SCHEMBL3498008

>  <PubChem CID>
11995795

>  <Formula>
C31H24ClNO5

>  <Molecular Weight>
525.985000

>  <IUPAC Name>
(2S)-2-[[6-(4-chlorophenyl)-3-methyl-1-benzofuran-2-carbonyl]amino]-2-(4-phenylmethoxyphenyl)acetic acid

>  <XlogP>
7.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(OC2=C1C=CC(=C2)C3=CC=C(C=C3)Cl)C(=O)NC(C4=CC=C(C=C4)OCC5=CC=CC=C5)C(=O)O

>  <Isomeric SMILES>
CC1=C(OC2=C1C=CC(=C2)C3=CC=C(C=C3)Cl)C(=O)N[C@@H](C4=CC=C(C=C4)OCC5=CC=CC=C5)C(=O)O

>  <InChI Std. ID>
InChI=1S/C31H24ClNO5/c1-19-26-16-11-23(21-7-12-24(32)13-8-21)17-27(26)38-29(19)30(34)33-28(31(35)36)22-9-14-25(15-10-22)37-18-20-5-3-2-4-6-20/h2-17,28H,18H2,1H3,(H,33,34)(H,35,36)/t28-/m0/s1

>  <InChI Key>
BDVDNRTWNCJRSH-NDEPHWFRSA-N

