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M  END

>  <Chemical Name>
MLS-0103364.0001

>  <PubChem CID>
3372218

>  <Formula>
C22H25NO3

>  <Molecular Weight>
351.446000

>  <IUPAC Name>
1-[3-(4-tert-butylphenoxy)propyl]-7-methylindole-2,3-dione

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC=CC2=C1N(C(=O)C2=O)CCCOC3=CC=C(C=C3)C(C)(C)C

>  <Isomeric SMILES>
CC1=CC=CC2=C1N(C(=O)C2=O)CCCOC3=CC=C(C=C3)C(C)(C)C

>  <InChI Std. ID>
InChI=1S/C22H25NO3/c1-15-7-5-8-18-19(15)23(21(25)20(18)24)13-6-14-26-17-11-9-16(10-12-17)22(2,3)4/h5,7-12H,6,13-14H2,1-4H3

>  <InChI Key>
PESHQZFOQZCWKC-UHFFFAOYSA-N

