
 SCHEMBL6117972

 48 51  0  0  0  0  0  0  0  0999 V2000
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    2.8003    0.0264    0.1964 C   0  0  0  0  0
    3.5240   -1.1712    0.2793 C   0  0  0  0  0
    4.9239   -1.1407    0.2819 C   0  0  0  0  0
    5.6041    0.0942    0.2422 C   0  0  0  0  0
    6.9703    0.4442    0.1986 C   0  0  0  0  0
    7.0896    1.8240    0.1205 C   0  0  0  0  0
    5.7952    2.3306    0.2196 N   0  0  0  0  0
    4.8776    1.2799    0.1909 C   0  0  0  0  0
    3.4735    1.2603    0.1268 C   0  0  0  0  0
    5.4002    3.7423    0.2421 C   0  0  0  0  0
    5.0523    4.2237    1.6374 C   0  0  0  0  0
    3.7591    4.1216    2.1498 C   0  0  0  0  0
    3.4986    4.5340    3.4554 C   0  0  0  0  0
    4.5310    5.0483    4.2293 C   0  0  0  0  0
    5.7894    5.1474    3.6538 C   0  0  0  0  0
    6.0515    4.7636    2.3763 N   0  0  0  0  0
    6.9622    5.6858    4.4152 C   0  0  0  0  0
    8.0608    5.9594    3.9693 O   0  0  0  0  0
    6.7046    5.8351    5.7322 O   0  0  0  0  0
    8.3442    2.5692   -0.0772 C   0  0  0  0  0
    9.2471    2.1361   -1.0636 C   0  0  0  0  0
   10.4787    2.7726   -1.2482 C   0  0  0  0  0
   10.8233    3.8619   -0.4551 C   0  0  0  0  0
    9.9453    4.2992    0.5315 C   0  0  0  0  0
    8.7244    3.6440    0.7279 C   0  0  0  0  0
    2.7744   -2.3199    0.3236 O   0  0  0  0  0
    3.4523   -3.5164    0.6841 C   0  0  0  0  0
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    0.9361   -0.4506   -0.7536 H   0  0  0  0  0
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    5.5172   -2.0487    0.3012 H   0  0  0  0  0
    7.8033   -0.2480    0.1822 H   0  0  0  0  0
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    4.5458    3.8638   -0.4357 H   0  0  0  0  0
    6.2108    4.3431   -0.1808 H   0  0  0  0  0
    2.9457    3.7234    1.5543 H   0  0  0  0  0
    2.4978    4.4449    3.8674 H   0  0  0  0  0
    4.3486    5.3633    5.2512 H   0  0  0  0  0
    7.5642    6.1433    6.0910 H   0  0  0  0  0
    9.0001    1.2845   -1.6948 H   0  0  0  0  0
   11.1675    2.4108   -2.0075 H   0  0  0  0  0
   11.7791    4.3605   -0.5937 H   0  0  0  0  0
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    8.0982    3.9769    1.5463 H   0  0  0  0  0
    2.6999   -4.3011    0.8091 H   0  0  0  0  0
    3.9778   -3.4053    1.6388 H   0  0  0  0  0
    4.1351   -3.8348   -0.1099 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  2  0  0  0
  2 10  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  4  5  2  0  0  0
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  5  9  1  0  0  0
  5  6  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL6117972

>  <PubChem CID>
69670955

>  <Formula>
C23H20N2O3

>  <Molecular Weight>
372.424000

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

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(C=C2C=C(N(C2=C1)CC3=CC=CC(=N3)C(=O)O)C4=CC=CC=C4)OC

>  <Isomeric SMILES>
CC1=C(C=C2C=C(N(C2=C1)CC3=CC=CC(=N3)C(=O)O)C4=CC=CC=C4)OC

>  <InChI Std. ID>
InChI=1S/C23H20N2O3/c1-15-11-20-17(13-22(15)28-2)12-21(16-7-4-3-5-8-16)25(20)14-18-9-6-10-19(24-18)23(26)27/h3-13H,14H2,1-2H3,(H,26,27)

>  <InChI Key>
HAFKGXRVBBECLT-UHFFFAOYSA-N

