
 SCHEMBL3308658

 53 56  0  0  0  0  0  0  0  0999 V2000
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    4.8310    3.1363    0.4177 H   0  0  0  0  0
    2.1652    2.8285   -1.3480 H   0  0  0  0  0
    1.1667    0.8544   -2.4375 H   0  0  0  0  0
    1.6277   -1.3992   -1.5727 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL3308658

>  <PubChem CID>
59314361

>  <Formula>
C23H23NO6

>  <Molecular Weight>
409.438000

>  <IUPAC Name>
2-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2,5-dicarboxylic acid

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC=CC(=C1OC2CCC2)C(=O)NC3(CC4=C(C3)C=C(C=C4)C(=O)O)C(=O)O

>  <Isomeric SMILES>
CC1=CC=CC(=C1OC2CCC2)C(=O)NC3(CC4=C(C3)C=C(C=C4)C(=O)O)C(=O)O

>  <InChI Std. ID>
InChI=1S/C23H23NO6/c1-13-4-2-7-18(19(13)30-17-5-3-6-17)20(25)24-23(22(28)29)11-15-9-8-14(21(26)27)10-16(15)12-23/h2,4,7-10,17H,3,5-6,11-12H2,1H3,(H,24,25)(H,26,27)(H,28,29)

>  <InChI Key>
CIWMJTYZCKJKOS-UHFFFAOYSA-N

