
 SCHEMBL3306025

 49 52  0  0  0  0  0  0  0  0999 V2000
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    4.3639   -1.0162   -1.7943 C   0  0  0  0  0
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    2.1171   -3.2474    0.3706 C   0  0  0  0  0
    2.3999   -3.0145    1.5385 O   0  0  0  0  0
    1.2883   -4.2900   -0.0071 N   0  0  0  0  0
    0.7082   -5.2348    0.9805 C   0  0  0  0  0
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    7.3539    0.1790   -0.5195 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL3306025

>  <PubChem CID>
59314321

>  <Formula>
C22H21NO5

>  <Molecular Weight>
379.412000

>  <IUPAC Name>
2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2,5-dicarboxylic acid

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCC2=C(C=CC=C2C1)C(=O)NC3(CC4=C(C3)C=C(C=C4)C(=O)O)C(=O)O

>  <Isomeric SMILES>
C1CCC2=C(C=CC=C2C1)C(=O)NC3(CC4=C(C3)C=C(C=C4)C(=O)O)C(=O)O

>  <InChI Std. ID>
InChI=1S/C22H21NO5/c24-19(18-7-3-5-13-4-1-2-6-17(13)18)23-22(21(27)28)11-15-9-8-14(20(25)26)10-16(15)12-22/h3,5,7-10H,1-2,4,6,11-12H2,(H,23,24)(H,25,26)(H,27,28)

>  <InChI Key>
FIPXNIPYVQISBZ-UHFFFAOYSA-N

