
 Spiro-indolinone analogue, 89

 44 47  0  0  0  0  0  0  0  0999 V2000
    1.2199    0.1236    2.2403 C   0  0  0  0  0
    2.2798    1.0887    1.7676 C   0  0  0  0  0
    2.9411    1.8065    2.4980 O   0  0  0  0  0
    2.3806    0.9977    0.3900 N   0  0  0  0  0
    1.6135   -0.1174   -0.1232 C   0  0  0  0  0
    0.5446   -0.3232    0.9431 C   0  0  0  0  0
   -0.7502    0.3984    0.6526 C   0  0  0  0  0
   -1.7855   -0.5339    0.5539 C   0  0  0  0  0
   -3.0804   -0.1496    0.2553 C   0  0  0  0  0
   -3.3321    1.2143    0.0667 C   0  0  0  0  0
   -2.2968    2.1545    0.1870 C   0  0  0  0  0
   -0.9943    1.7535    0.4839 C   0  0  0  0  0
   -2.6364    3.8268   -0.0378 Cl  0  0  0  0  0
   -1.2806   -1.8137    0.8039 N   0  0  0  0  0
    0.1019   -1.7906    1.0059 C   0  0  0  0  0
    0.8224   -2.7562    1.2154 O   0  0  0  0  0
   -2.0632   -3.0310    0.8100 C   0  0  0  0  0
   -2.2217   -3.6188   -0.5776 C   0  0  0  0  0
   -1.7562   -3.2033   -1.6272 O   0  0  0  0  0
   -2.9953   -4.7274   -0.5711 O   0  0  0  0  0
    3.4394    1.6407   -0.3695 C   0  0  0  0  0
    2.9439    2.2517   -1.6571 C   0  0  0  0  0
    3.4697    1.8467   -2.8914 C   0  0  0  0  0
    3.0061    2.4158   -4.0795 C   0  0  0  0  0
    2.0115    3.3918   -4.0467 C   0  0  0  0  0
    1.4868    3.8093   -2.8258 C   0  0  0  0  0
    1.9578    3.2500   -1.6373 C   0  0  0  0  0
    1.7202   -0.7014    2.7591 H   0  0  0  0  0
    0.5372    0.6281    2.9304 H   0  0  0  0  0
    1.2016    0.1199   -1.1091 H   0  0  0  0  0
    2.2900   -0.9752   -0.2138 H   0  0  0  0  0
   -3.8884   -0.8652    0.1567 H   0  0  0  0  0
   -4.3395    1.5458   -0.1744 H   0  0  0  0  0
   -0.1985    2.4848    0.5771 H   0  0  0  0  0
   -3.0499   -2.8271    1.2372 H   0  0  0  0  0
   -1.5517   -3.7737    1.4315 H   0  0  0  0  0
   -3.0051   -5.0217   -1.5076 H   0  0  0  0  0
    4.2076    0.8824   -0.5600 H   0  0  0  0  0
    3.9089    2.4242    0.2370 H   0  0  0  0  0
    4.2465    1.0868   -2.9380 H   0  0  0  0  0
    3.4221    2.0981   -5.0321 H   0  0  0  0  0
    1.6494    3.8311   -4.9725 H   0  0  0  0  0
    0.7141    4.5734   -2.7976 H   0  0  0  0  0
    1.5522    3.5970   -0.6898 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  6 15  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 14  1  0  0  0
  9 10  2  0  0  0
  9 32  1  0  0  0
 10 11  1  0  0  0
 10 33  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 12 34  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 17 18  1  0  0  0
 17 35  1  0  0  0
 17 36  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 37  1  0  0  0
 21 22  1  0  0  0
 21 38  1  0  0  0
 21 39  1  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 40  1  0  0  0
 24 25  2  0  0  0
 24 41  1  0  0  0
 25 26  1  0  0  0
 25 42  1  0  0  0
 26 27  2  0  0  0
 26 43  1  0  0  0
 27 44  1  0  0  0
M  END

>  <Chemical Name>
Spiro-indolinone analogue, 89

>  <PubChem CID>
24776296

>  <Formula>
C20H17ClN2O4

>  <Molecular Weight>
384.816000

>  <IUPAC Name>
2-(1'-benzyl-5-chloro-2,2'-dioxospiro[indole-3,4'-pyrrolidine]-1-yl)acetic acid

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1C(=O)N(CC12C3=C(C=CC(=C3)Cl)N(C2=O)CC(=O)O)CC4=CC=CC=C4

>  <Isomeric SMILES>
C1C(=O)N(CC12C3=C(C=CC(=C3)Cl)N(C2=O)CC(=O)O)CC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C20H17ClN2O4/c21-14-6-7-16-15(8-14)20(19(27)23(16)11-18(25)26)9-17(24)22(12-20)10-13-4-2-1-3-5-13/h1-8H,9-12H2,(H,25,26)

>  <InChI Key>
BDWQUHFLKUXBHZ-UHFFFAOYSA-N

