
 SCHEMBL3310806

 51 53  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL3310806

>  <PubChem CID>
25160671

>  <Formula>
C22H25NO3

>  <Molecular Weight>
351.446000

>  <IUPAC Name>
2-[[3-methyl-2-(2-methylpropyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC=CC(=C1CC(C)C)C(=O)NC2(CC3=CC=CC=C3C2)C(=O)O

>  <Isomeric SMILES>
CC1=CC=CC(=C1CC(C)C)C(=O)NC2(CC3=CC=CC=C3C2)C(=O)O

>  <InChI Std. ID>
InChI=1S/C22H25NO3/c1-14(2)11-19-15(3)7-6-10-18(19)20(24)23-22(21(25)26)12-16-8-4-5-9-17(16)13-22/h4-10,14H,11-13H2,1-3H3,(H,23,24)(H,25,26)

>  <InChI Key>
CVZZXXPJPJIHNE-UHFFFAOYSA-N

