
 SCHEMBL6117558

 46 49  0  0  0  0  0  0  0  0999 V2000
    3.7157   -1.2080    1.1154 C   0  0  0  0  0
    4.8857   -0.7235    0.4671 O   0  0  0  0  0
    4.9944    0.6350    0.3310 C   0  0  0  0  0
    6.2157    1.0755   -0.1925 C   0  0  0  0  0
    6.4611    2.4543   -0.3568 C   0  0  0  0  0
    5.4838    3.3710    0.0245 C   0  0  0  0  0
    4.2330    2.9365    0.4936 C   0  0  0  0  0
    4.0087    1.5629    0.6483 C   0  0  0  0  0
    6.0341    4.6397   -0.1258 N   0  0  0  0  0
    7.2330    4.5520   -0.8319 C   0  0  0  0  0
    7.5396    3.1996   -0.8906 C   0  0  0  0  0
    8.0231    5.6744   -1.3697 C   0  0  0  0  0
    9.4251    5.6176   -1.3512 C   0  0  0  0  0
   10.1962    6.6546   -1.8855 C   0  0  0  0  0
    9.5759    7.7711   -2.4386 C   0  0  0  0  0
    8.1862    7.8386   -2.4803 C   0  0  0  0  0
    7.4171    6.7883   -1.9688 C   0  0  0  0  0
    5.4429    5.8836    0.3868 C   0  0  0  0  0
    4.8841    5.7848    1.7888 C   0  0  0  0  0
    5.7068    5.4501    2.8760 C   0  0  0  0  0
    5.1652    5.3134    4.1562 C   0  0  0  0  0
    3.7996    5.5043    4.3690 C   0  0  0  0  0
    2.9687    5.8502    3.2973 C   0  0  0  0  0
    3.5171    6.0155    2.0197 C   0  0  0  0  0
    1.5032    6.0152    3.4519 C   0  0  0  0  0
    0.7296    6.3664    2.5781 O   0  0  0  0  0
    1.0682    5.6913    4.6819 O   0  0  0  0  0
    3.8097   -2.2940    1.2095 H   0  0  0  0  0
    2.8220   -1.0020    0.5172 H   0  0  0  0  0
    3.6194   -0.7944    2.1253 H   0  0  0  0  0
    6.9755    0.3512   -0.4713 H   0  0  0  0  0
    3.4420    3.6319    0.7460 H   0  0  0  0  0
    3.0391    1.2572    1.0279 H   0  0  0  0  0
    8.4341    2.7796   -1.3326 H   0  0  0  0  0
    9.9358    4.7579   -0.9236 H   0  0  0  0  0
   11.2809    6.5857   -1.8715 H   0  0  0  0  0
   10.1743    8.5806   -2.8482 H   0  0  0  0  0
    7.6980    8.7026   -2.9240 H   0  0  0  0  0
    6.3368    6.8503   -2.0632 H   0  0  0  0  0
    4.6718    6.1726   -0.3361 H   0  0  0  0  0
    6.2134    6.6597    0.4051 H   0  0  0  0  0
    6.7689    5.2697    2.7245 H   0  0  0  0  0
    5.8119    5.0379    4.9887 H   0  0  0  0  0
    3.3924    5.3683    5.3668 H   0  0  0  0  0
    2.8630    6.2798    1.1887 H   0  0  0  0  0
    0.0964    5.8065    4.6294 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  5  6  2  0  0  0
  5 11  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 32  1  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
  9 18  1  0  0  0
 10 11  2  0  0  0
 10 12  1  0  0  0
 11 34  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 14 15  2  0  0  0
 14 36  1  0  0  0
 15 16  1  0  0  0
 15 37  1  0  0  0
 16 17  2  0  0  0
 16 38  1  0  0  0
 17 39  1  0  0  0
 18 19  1  0  0  0
 18 40  1  0  0  0
 18 41  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 42  1  0  0  0
 21 22  2  0  0  0
 21 43  1  0  0  0
 22 23  1  0  0  0
 22 44  1  0  0  0
 23 24  2  0  0  0
 23 25  1  0  0  0
 24 45  1  0  0  0
 25 27  1  0  0  0
 25 26  2  0  0  0
 27 46  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL6117558

>  <PubChem CID>
50907649

>  <Formula>
C23H19NO3

>  <Molecular Weight>
357.409000

>  <IUPAC Name>
3-[(5-methoxy-2-phenylindol-1-yl)methyl]benzoic acid

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
COC1=CC2=C(C=C1)N(C(=C2)C3=CC=CC=C3)CC4=CC=CC(=C4)C(=O)O

>  <Isomeric SMILES>
COC1=CC2=C(C=C1)N(C(=C2)C3=CC=CC=C3)CC4=CC=CC(=C4)C(=O)O

>  <InChI Std. ID>
InChI=1S/C23H19NO3/c1-27-20-10-11-21-19(13-20)14-22(17-7-3-2-4-8-17)24(21)15-16-6-5-9-18(12-16)23(25)26/h2-14H,15H2,1H3,(H,25,26)

>  <InChI Key>
ZSWPWUSMEWCUCL-UHFFFAOYSA-N

