
 SCHEMBL6118436

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M  END

>  <Chemical Name>
SCHEMBL6118436

>  <PubChem CID>
69671115

>  <Formula>
C20H21NO3

>  <Molecular Weight>
323.392000

>  <IUPAC Name>
3-[(5-methoxy-2-propan-2-ylindol-1-yl)methyl]benzoic acid

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)C1=CC2=C(N1CC3=CC=CC(=C3)C(=O)O)C=CC(=C2)OC

>  <Isomeric SMILES>
CC(C)C1=CC2=C(N1CC3=CC=CC(=C3)C(=O)O)C=CC(=C2)OC

>  <InChI Std. ID>
InChI=1S/C20H21NO3/c1-13(2)19-11-16-10-17(24-3)7-8-18(16)21(19)12-14-5-4-6-15(9-14)20(22)23/h4-11,13H,12H2,1-3H3,(H,22,23)

>  <InChI Key>
FKLJEPXIZZTAMS-UHFFFAOYSA-N

