
 SCHEMBL3304807

 50 53  0  0  0  0  0  0  0  0999 V2000
    3.1778   -1.1739   -2.7071 C   0  0  0  0  0
    2.3174   -0.0408   -2.6939 O   0  0  0  0  0
    2.9181    1.1593   -2.4224 C   0  0  0  0  0
    2.0640    2.1391   -1.9073 C   0  0  0  0  0
    2.5893    3.3796   -1.5852 C   0  0  0  0  0
    3.9377    3.6662   -1.8024 C   0  0  0  0  0
    4.2467    5.0830   -1.4240 C   0  0  0  0  0
    3.0355    5.4463   -0.5098 C   0  0  0  0  0
    1.8623    4.5695   -1.0283 C   0  0  0  0  0
    2.7570    6.9435   -0.7336 C   0  0  0  0  0
    2.2406    7.4408   -1.7251 O   0  0  0  0  0
    3.2649    7.7556    0.2202 O   0  0  0  0  0
    3.3856    5.1293    0.8970 N   0  0  0  0  0
    2.5058    5.3606    1.9372 C   0  0  0  0  0
    1.4094    5.8817    1.7742 O   0  0  0  0  0
    2.9888    4.9404    3.2926 C   0  0  0  0  0
    2.1117    4.4528    4.2888 C   0  0  0  0  0
    0.6244    4.3221    4.0269 C   0  0  0  0  0
   -0.1368    3.5154    5.0797 C   0  0  0  0  0
    0.2871    3.9276    6.4800 C   0  0  0  0  0
    1.7645    3.6144    6.6818 C   0  0  0  0  0
    2.6365    4.1373    5.5645 C   0  0  0  0  0
    4.0135    4.2668    5.8097 C   0  0  0  0  0
    4.8683    4.7474    4.8251 C   0  0  0  0  0
    4.3585    5.0941    3.5778 C   0  0  0  0  0
    4.7887    2.7204   -2.3469 C   0  0  0  0  0
    4.2719    1.4555   -2.6527 C   0  0  0  0  0
    2.5487   -2.0693   -2.7215 H   0  0  0  0  0
    3.7972   -1.2168   -1.8041 H   0  0  0  0  0
    3.7960   -1.1866   -3.6102 H   0  0  0  0  0
    1.0116    1.9221   -1.7531 H   0  0  0  0  0
    5.2025    5.1574   -0.8940 H   0  0  0  0  0
    4.2897    5.6969   -2.3312 H   0  0  0  0  0
    1.1699    4.2665   -0.2380 H   0  0  0  0  0
    1.2974    5.0524   -1.8329 H   0  0  0  0  0
    2.9473    8.6465   -0.0341 H   0  0  0  0  0
    4.1077    4.4363    1.0485 H   0  0  0  0  0
    0.1971    5.3319    3.9912 H   0  0  0  0  0
    0.4558    3.8423    3.0558 H   0  0  0  0  0
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    0.0539    2.4441    4.9386 H   0  0  0  0  0
   -0.3090    3.3958    7.2298 H   0  0  0  0  0
    0.1051    5.0002    6.6235 H   0  0  0  0  0
    1.9050    2.5280    6.7436 H   0  0  0  0  0
    2.0853    4.0443    7.6383 H   0  0  0  0  0
    4.4212    4.0062    6.7845 H   0  0  0  0  0
    5.9279    4.8695    5.0356 H   0  0  0  0  0
    5.0361    5.5178    2.8410 H   0  0  0  0  0
    5.8321    2.9486   -2.5414 H   0  0  0  0  0
    4.9406    0.7221   -3.0916 H   0  0  0  0  0
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  9 35  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL3304807

>  <PubChem CID>
25159361

>  <Formula>
C22H23NO4

>  <Molecular Weight>
365.429000

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

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=CC2=C(CC(C2)(C(=O)O)NC(=O)C3=C4CCCCC4=CC=C3)C=C1

>  <Isomeric SMILES>
COC1=CC2=C(CC(C2)(C(=O)O)NC(=O)C3=C4CCCCC4=CC=C3)C=C1

>  <InChI Std. ID>
InChI=1S/C22H23NO4/c1-27-17-10-9-15-12-22(21(25)26,13-16(15)11-17)23-20(24)19-8-4-6-14-5-2-3-7-18(14)19/h4,6,8-11H,2-3,5,7,12-13H2,1H3,(H,23,24)(H,25,26)

>  <InChI Key>
ZEZCZUQIVHQJHW-UHFFFAOYSA-N

