
 SCHEMBL6117996

 46 49  0  0  0  0  0  0  0  0999 V2000
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    5.9014    2.3961    0.1833 N   0  0  0  0  0
    4.9021    1.4266    0.1951 C   0  0  0  0  0
    3.5011    1.5404    0.2283 C   0  0  0  0  0
    5.6055    3.8255    0.0941 C   0  0  0  0  0
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    4.9850    6.1868    2.7293 C   0  0  0  0  0
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    4.7437    7.8464    4.3165 O   0  0  0  0  0
    8.4690    2.4644    0.0439 C   0  0  0  0  0
    9.4677    1.8800   -0.7547 C   0  0  0  0  0
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   11.0202    3.6473   -0.2141 C   0  0  0  0  0
   10.0487    4.2390    0.5881 C   0  0  0  0  0
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    5.0986    5.1160    4.6436 H   0  0  0  0  0
    4.5816    8.8119    4.3454 H   0  0  0  0  0
    9.2689    0.9574   -1.2958 H   0  0  0  0  0
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    2.2071   -3.6204   -1.2517 H   0  0  0  0  0
    3.5503   -3.7530   -0.1034 H   0  0  0  0  0
    3.7175   -2.7875   -1.6170 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
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  4  5  2  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL6117996

>  <PubChem CID>
69670960

>  <Formula>
C22H19NO4

>  <Molecular Weight>
361.397000

>  <IUPAC Name>
5-[(5-methoxy-6-methyl-2-phenylindol-1-yl)methyl]furan-2-carboxylic acid

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(C=C2C=C(N(C2=C1)CC3=CC=C(O3)C(=O)O)C4=CC=CC=C4)OC

>  <Isomeric SMILES>
CC1=C(C=C2C=C(N(C2=C1)CC3=CC=C(O3)C(=O)O)C4=CC=CC=C4)OC

>  <InChI Std. ID>
InChI=1S/C22H19NO4/c1-14-10-18-16(12-21(14)26-2)11-19(15-6-4-3-5-7-15)23(18)13-17-8-9-20(27-17)22(24)25/h3-12H,13H2,1-2H3,(H,24,25)

>  <InChI Key>
MWFITRYZSCMXPL-UHFFFAOYSA-N

