
 ethyl 4-{3-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate

 57 60  0  0  0  0  0  0  0  0999 V2000
    6.2856   -1.4764   -1.1987 C   0  0  0  0  0
    4.9723   -0.7512   -1.4252 C   0  0  0  0  0
    5.1830    0.6685   -1.4301 O   0  0  0  0  0
    5.1778    1.2680   -0.2136 C   0  0  0  0  0
    5.0169    0.7127    0.8610 O   0  0  0  0  0
    5.4117    2.7312   -0.3540 C   0  0  0  0  0
    5.5333    3.3665   -1.5904 C   0  0  0  0  0
    5.7459    4.7538   -1.6601 C   0  0  0  0  0
    5.8529    5.5500   -0.5061 C   0  0  0  0  0
    5.7243    4.8864    0.7259 C   0  0  0  0  0
    5.5066    3.5020    0.8043 C   0  0  0  0  0
    6.0520    6.9675   -0.5862 N   0  0  0  0  0
    6.1012    7.8245    0.4903 C   0  0  0  0  0
    5.9660    7.5939    1.6850 O   0  0  0  0  0
    6.4680    9.1935    0.0092 C   0  0  0  0  0
    6.1408    9.1626   -1.4741 C   0  0  0  0  0
    6.2975    7.6685   -1.7498 C   0  0  0  0  0
    6.6245    7.2421   -2.8522 O   0  0  0  0  0
    4.7676    9.6310   -1.8177 N   0  0  0  0  0
    4.5197   11.0403   -1.4728 C   0  0  0  0  0
    5.2901   12.0407   -2.3358 C   0  0  0  0  0
    5.0406   11.8396   -3.8462 C   0  0  0  0  0
    5.1753   10.3429   -4.2024 C   0  0  0  0  0
    4.4145    9.4285   -3.2369 C   0  0  0  0  0
    5.9477   12.7736   -4.6595 C   0  0  0  0  0
    6.8361   12.3167   -5.6483 C   0  0  0  0  0
    7.6546   13.2060   -6.3560 C   0  0  0  0  0
    7.5926   14.5699   -6.0910 C   0  0  0  0  0
    6.7104   15.0563   -5.1344 C   0  0  0  0  0
    5.8920   14.1656   -4.4337 C   0  0  0  0  0
    8.7030   15.7662   -7.0431 Br  0  0  0  0  0
    3.7064   12.2684   -4.1591 O   0  0  0  0  0
    6.1468   -2.5592   -1.2643 H   0  0  0  0  0
    6.7021   -1.2375   -0.2151 H   0  0  0  0  0
    7.0284   -1.1689   -1.9421 H   0  0  0  0  0
    4.2204   -1.0384   -0.6812 H   0  0  0  0  0
    4.5703   -1.0174   -2.4083 H   0  0  0  0  0
    5.4599    2.8035   -2.5182 H   0  0  0  0  0
    5.8100    5.1778   -2.6583 H   0  0  0  0  0
    5.7870    5.4096    1.6754 H   0  0  0  0  0
    5.4113    3.0356    1.7841 H   0  0  0  0  0
    5.9395    9.9503    0.5892 H   0  0  0  0  0
    7.5448    9.3307    0.1650 H   0  0  0  0  0
    6.9097    9.7118   -2.0281 H   0  0  0  0  0
    4.7268   11.2399   -0.4177 H   0  0  0  0  0
    3.4429   11.2329   -1.5701 H   0  0  0  0  0
    4.9733   13.0432   -2.0222 H   0  0  0  0  0
    6.3626   11.9658   -2.1156 H   0  0  0  0  0
    4.7897   10.1637   -5.2145 H   0  0  0  0  0
    6.2287   10.0384   -4.1983 H   0  0  0  0  0
    3.3357    9.5980   -3.3492 H   0  0  0  0  0
    4.5452    8.3835   -3.5353 H   0  0  0  0  0
    6.9106   11.2631   -5.9029 H   0  0  0  0  0
    8.3310   12.8205   -7.1145 H   0  0  0  0  0
    6.6414   16.1211   -4.9301 H   0  0  0  0  0
    5.1868   14.5725   -3.7111 H   0  0  0  0  0
    3.0691   11.6909   -3.7116 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
  2 36  1  0  0  0
  2 37  1  0  0  0
  3  4  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 38  1  0  0  0
  8  9  2  0  0  0
  8 39  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
 10 11  2  0  0  0
 10 40  1  0  0  0
 11 41  1  0  0  0
 12 17  1  0  0  0
 12 13  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
 15 42  1  0  0  0
 15 43  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 16 44  1  0  0  0
 17 18  2  0  0  0
 19 24  1  0  0  0
 19 20  1  0  0  0
 20 21  1  0  0  0
 20 45  1  0  0  0
 20 46  1  0  0  0
 21 22  1  0  0  0
 21 47  1  0  0  0
 21 48  1  0  0  0
 22 23  1  0  0  0
 22 32  1  0  0  0
 22 25  1  0  0  0
 23 24  1  0  0  0
 23 49  1  0  0  0
 23 50  1  0  0  0
 24 51  1  0  0  0
 24 52  1  0  0  0
 25 26  2  0  0  0
 25 30  1  0  0  0
 26 27  1  0  0  0
 26 53  1  0  0  0
 27 28  2  0  0  0
 27 54  1  0  0  0
 28 29  1  0  0  0
 28 31  1  0  0  0
 29 30  2  0  0  0
 29 55  1  0  0  0
 30 56  1  0  0  0
 32 57  1  0  0  0
M  END

>  <Chemical Name>
ethyl 4-{3-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate

>  <PubChem CID>
2884923

>  <Formula>
C24H25BrN2O5

>  <Molecular Weight>
501.377000

>  <IUPAC Name>
ethyl 4-[3-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoate

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCC(CC3)(C4=CC=C(C=C4)Br)O

>  <Isomeric SMILES>
CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCC(CC3)(C4=CC=C(C=C4)Br)O

>  <InChI Std. ID>
InChI=1S/C24H25BrN2O5/c1-2-32-23(30)16-3-9-19(10-4-16)27-21(28)15-20(22(27)29)26-13-11-24(31,12-14-26)17-5-7-18(25)8-6-17/h3-10,20,31H,2,11-15H2,1H3

>  <InChI Key>
IIJPGUVYCGCBSL-UHFFFAOYSA-N

