
 SCHEMBL3310131

 51 54  0  0  0  0  0  0  0  0999 V2000
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    3.7434   -3.1459   -0.0905 N   0  0  0  0  0
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    4.0171   -4.7876    1.8090 C   0  0  0  0  0
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    7.3851   -3.1045   -0.3741 H   0  0  0  0  0
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  1 31  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL3310131

>  <PubChem CID>
59314313

>  <Formula>
C23H22N2O4

>  <Molecular Weight>
390.439000

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

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C23H22N2O4/c1-14-4-2-7-19(20(14)29-18-5-3-6-18)21(26)25-23(22(27)28)11-16-9-8-15(13-24)10-17(16)12-23/h2,4,7-10,18H,3,5-6,11-12H2,1H3,(H,25,26)(H,27,28)

>  <InChI Key>
LFBYBZUQHTWBLI-UHFFFAOYSA-N

