
 SCHEMBL3309662

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M  END

>  <Chemical Name>
SCHEMBL3309662

>  <PubChem CID>
25159485

>  <Formula>
C23H25NO3

>  <Molecular Weight>
363.457000

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

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCC=CC1=C(C=CC=C1C)C(=O)NC2(CC3=CC=CC=C3C2)C(=O)O

>  <Isomeric SMILES>
CCC/C=C/C1=C(C=CC=C1C)C(=O)NC2(CC3=CC=CC=C3C2)C(=O)O

>  <InChI Std. ID>
InChI=1S/C23H25NO3/c1-3-4-5-12-19-16(2)9-8-13-20(19)21(25)24-23(22(26)27)14-17-10-6-7-11-18(17)15-23/h5-13H,3-4,14-15H2,1-2H3,(H,24,25)(H,26,27)/b12-5+

>  <InChI Key>
MXEZMFDQDAPMOI-LFYBBSHMSA-N

