
 Spiro-indolinone analogue, 5

 43 46  0  0  0  0  0  0  0  0999 V2000
    1.6807    0.2476    1.4162 C   0  0  0  0  0
    2.8595    0.9047    0.7636 C   0  0  0  0  0
    3.7857    1.4059    1.3848 O   0  0  0  0  0
    2.7130    0.8667   -0.5899 N   0  0  0  0  0
    1.5521    0.2664   -0.9843 C   0  0  0  0  0
    1.1688    0.1277   -2.1378 O   0  0  0  0  0
    0.8047   -0.1738    0.2419 C   0  0  0  0  0
   -0.6081    0.3503    0.3144 C   0  0  0  0  0
   -1.4980   -0.7248    0.3630 C   0  0  0  0  0
   -2.8631   -0.5351    0.4661 C   0  0  0  0  0
   -3.3371    0.7805    0.5121 C   0  0  0  0  0
   -2.4451    1.8637    0.4529 C   0  0  0  0  0
   -1.0675    1.6591    0.3533 C   0  0  0  0  0
   -3.0603    3.4704    0.5143 Cl  0  0  0  0  0
   -0.7794   -1.9229    0.3027 N   0  0  0  0  0
    0.5966   -1.6890    0.2496 C   0  0  0  0  0
    1.4787   -2.5342    0.2429 O   0  0  0  0  0
   -1.3450   -3.2474    0.4490 C   0  0  0  0  0
   -1.4904   -3.6848    1.8978 C   0  0  0  0  0
   -1.9774   -4.7446    2.2632 O   0  0  0  0  0
   -1.0344   -2.8092    2.8165 O   0  0  0  0  0
    3.6524    1.4707   -1.5105 C   0  0  0  0  0
    3.3319    2.9301   -1.7362 C   0  0  0  0  0
    3.8898    3.9150   -0.9080 C   0  0  0  0  0
    3.5656    5.2597   -1.0903 C   0  0  0  0  0
    2.6774    5.6327   -2.0970 C   0  0  0  0  0
    2.1099    4.6618   -2.9203 C   0  0  0  0  0
    2.4320    3.3158   -2.7397 C   0  0  0  0  0
    2.0386   -0.5966    2.0153 H   0  0  0  0  0
    1.1965    0.9732    2.0781 H   0  0  0  0  0
   -3.5629   -1.3619    0.5108 H   0  0  0  0  0
   -4.4069    0.9623    0.5931 H   0  0  0  0  0
   -0.3844    2.5029    0.3084 H   0  0  0  0  0
   -0.6777   -3.9648   -0.0410 H   0  0  0  0  0
   -2.3240   -3.2824   -0.0371 H   0  0  0  0  0
   -1.1803   -3.2627    3.6734 H   0  0  0  0  0
    3.6265    0.9327   -2.4654 H   0  0  0  0  0
    4.6678    1.3706   -1.1085 H   0  0  0  0  0
    4.5755    3.6380   -0.1084 H   0  0  0  0  0
    4.0040    6.0153   -0.4433 H   0  0  0  0  0
    2.4246    6.6802   -2.2376 H   0  0  0  0  0
    1.4131    4.9524   -3.7025 H   0  0  0  0  0
    1.9720    2.5680   -3.3842 H   0  0  0  0  0
  1  7  1  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 22  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  1  0  0  0
  7 16  1  0  0  0
  8 13  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 15  1  0  0  0
 10 11  2  0  0  0
 10 31  1  0  0  0
 11 12  1  0  0  0
 11 32  1  0  0  0
 12 13  2  0  0  0
 12 14  1  0  0  0
 13 33  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  2  0  0  0
 18 19  1  0  0  0
 18 34  1  0  0  0
 18 35  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 36  1  0  0  0
 22 23  1  0  0  0
 22 37  1  0  0  0
 22 38  1  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 24 39  1  0  0  0
 25 26  2  0  0  0
 25 40  1  0  0  0
 26 27  1  0  0  0
 26 41  1  0  0  0
 27 28  2  0  0  0
 27 42  1  0  0  0
 28 43  1  0  0  0
M  END

>  <Chemical Name>
Spiro-indolinone analogue, 5

>  <PubChem CID>
15950271

>  <Formula>
C20H15ClN2O5

>  <Molecular Weight>
398.799000

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

>  <XlogP>
1.700

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1C(=O)N(C(=O)C12C3=C(C=CC(=C3)Cl)N(C2=O)CC(=O)O)CC4=CC=CC=C4

>  <Isomeric SMILES>
C1C(=O)N(C(=O)C12C3=C(C=CC(=C3)Cl)N(C2=O)CC(=O)O)CC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C20H15ClN2O5/c21-13-6-7-15-14(8-13)20(18(27)22(15)11-17(25)26)9-16(24)23(19(20)28)10-12-4-2-1-3-5-12/h1-8H,9-11H2,(H,25,26)

>  <InChI Key>
ZCDQMYGMUJCSPB-UHFFFAOYSA-N

