
 SCHEMBL3308022

 53 55  0  0  0  0  0  0  0  0999 V2000
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    3.8541   -0.1244   -2.5255 C   0  0  0  0  0
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    6.2984   -3.3034   -1.2161 O   0  0  0  0  0
    5.6383   -4.3167    0.7240 N   0  0  0  0  0
    5.4816   -5.6911    0.1741 C   0  0  0  0  0
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    7.0922    2.5430    0.8170 H   0  0  0  0  0
    7.3911    1.1945    2.7343 H   0  0  0  0  0
    7.4421   -1.0119    3.8349 H   0  0  0  0  0
    6.8827   -3.0436    2.5743 H   0  0  0  0  0
    4.2440   -1.9400   -1.4795 H   0  0  0  0  0
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    7.0038   -7.4551    3.7010 H   0  0  0  0  0
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    9.5868   -6.3857   -0.4426 H   0  0  0  0  0
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    2.4962   -5.1441   -0.9130 H   0  0  0  0  0
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  6  7  2  0  0  0
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  9 10  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL3308022

>  <PubChem CID>
25160542

>  <Formula>
C22H25NO5

>  <Molecular Weight>
383.444000

>  <IUPAC Name>
5-methoxy-2-[(3-methyl-2-propan-2-yloxybenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC=CC(=C1OC(C)C)C(=O)NC2(CC3=C(C2)C=C(C=C3)OC)C(=O)O

>  <Isomeric SMILES>
CC1=CC=CC(=C1OC(C)C)C(=O)NC2(CC3=C(C2)C=C(C=C3)OC)C(=O)O

>  <InChI Std. ID>
InChI=1S/C22H25NO5/c1-13(2)28-19-14(3)6-5-7-18(19)20(24)23-22(21(25)26)11-15-8-9-17(27-4)10-16(15)12-22/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)

>  <InChI Key>
ZFNNJCNJQGPLHU-UHFFFAOYSA-N

