
 SCHEMBL3498167

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M  END

>  <Chemical Name>
SCHEMBL3498167

>  <PubChem CID>
59335728

>  <Formula>
C31H26ClNO4

>  <Molecular Weight>
512.002000

>  <IUPAC Name>
5-(4-chlorophenyl)-2-[[2-(4-phenylmethoxyphenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid

>  <XlogP>
6.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1C2=C(CC1(C(=O)O)NC(=O)CC3=CC=C(C=C3)OCC4=CC=CC=C4)C=C(C=C2)C5=CC=C(C=C5)Cl

>  <Isomeric SMILES>
C1C2=C(CC1(C(=O)O)NC(=O)CC3=CC=C(C=C3)OCC4=CC=CC=C4)C=C(C=C2)C5=CC=C(C=C5)Cl

>  <InChI Std. ID>
InChI=1S/C31H26ClNO4/c32-27-12-10-23(11-13-27)24-8-9-25-18-31(30(35)36,19-26(25)17-24)33-29(34)16-21-6-14-28(15-7-21)37-20-22-4-2-1-3-5-22/h1-15,17H,16,18-20H2,(H,33,34)(H,35,36)

>  <InChI Key>
JRPNXMGTTZYZLJ-UHFFFAOYSA-N

