
 Ifenprodil

 51 53  0  0  0  0  0  0  0  0999 V2000
    4.3959    0.0548   -0.1697 C   0  0  0  0  0
    2.8593    0.1781   -0.2366 C   0  0  0  0  0
    2.1825   -0.3662    1.0744 C   0  0  0  0  0
    2.3201   -1.8751    1.2332 C   0  0  0  0  0
    3.4125   -2.4408    1.9147 C   0  0  0  0  0
    3.5444   -3.8246    2.0324 C   0  0  0  0  0
    2.5845   -4.6555    1.4728 C   0  0  0  0  0
    1.4919   -4.1218    0.7932 C   0  0  0  0  0
    1.3635   -2.7351    0.6716 C   0  0  0  0  0
    2.7520   -6.0003    1.6080 O   0  0  0  0  0
    2.6991    0.2689    2.2508 O   0  0  0  0  0
    2.3757    1.5476   -0.6195 N   0  0  0  0  0
    2.6962    1.8557   -2.0220 C   0  0  0  0  0
    2.2532    3.2547   -2.4540 C   0  0  0  0  0
    2.8214    4.3459   -1.5385 C   0  0  0  0  0
    2.3613    4.0093   -0.1132 C   0  0  0  0  0
    2.7886    2.6001    0.3214 C   0  0  0  0  0
    4.3604    4.4930   -1.5919 C   0  0  0  0  0
    4.9185    4.9111   -2.9305 C   0  0  0  0  0
    5.3651    3.9476   -3.8475 C   0  0  0  0  0
    5.9021    4.3293   -5.0769 C   0  0  0  0  0
    6.0102    5.6793   -5.3990 C   0  0  0  0  0
    5.5750    6.6468   -4.4946 C   0  0  0  0  0
    5.0248    6.2652   -3.2690 C   0  0  0  0  0
    4.8853    0.4413   -1.0672 H   0  0  0  0  0
    4.6956   -0.9955   -0.1017 H   0  0  0  0  0
    4.8165    0.5769    0.6946 H   0  0  0  0  0
    2.5219   -0.4893   -1.0426 H   0  0  0  0  0
    1.1117   -0.1252    1.0419 H   0  0  0  0  0
    4.1803   -1.8020    2.3488 H   0  0  0  0  0
    4.3957   -4.2507    2.5541 H   0  0  0  0  0
    0.7380   -4.7652    0.3498 H   0  0  0  0  0
    0.5100   -2.3280    0.1314 H   0  0  0  0  0
    2.0148   -6.4513    1.1656 H   0  0  0  0  0
    2.2621   -0.1623    3.0052 H   0  0  0  0  0
    2.1899    1.1315   -2.6721 H   0  0  0  0  0
    3.7660    1.7572   -2.2196 H   0  0  0  0  0
    2.5379    3.4310   -3.4967 H   0  0  0  0  0
    1.1559    3.3037   -2.4305 H   0  0  0  0  0
    2.3739    5.3055   -1.8291 H   0  0  0  0  0
    2.7548    4.7460    0.5975 H   0  0  0  0  0
    1.2667    4.0828   -0.0602 H   0  0  0  0  0
    3.8719    2.5952    0.4773 H   0  0  0  0  0
    2.3228    2.4285    1.2963 H   0  0  0  0  0
    4.8633    3.5698   -1.2829 H   0  0  0  0  0
    4.6695    5.2408   -0.8483 H   0  0  0  0  0
    5.3034    2.8893   -3.6075 H   0  0  0  0  0
    6.2410    3.5720   -5.7785 H   0  0  0  0  0
    6.4386    5.9772   -6.3519 H   0  0  0  0  0
    5.6685    7.7011   -4.7433 H   0  0  0  0  0
    4.6959    7.0332   -2.5727 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2 12  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  3 11  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  6  7  2  0  0  0
  6 31  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  8 32  1  0  0  0
  9 33  1  0  0  0
 10 34  1  0  0  0
 11 35  1  0  0  0
 12 17  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 36  1  0  0  0
 13 37  1  0  0  0
 14 15  1  0  0  0
 14 38  1  0  0  0
 14 39  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 15 40  1  0  0  0
 16 17  1  0  0  0
 16 41  1  0  0  0
 16 42  1  0  0  0
 17 43  1  0  0  0
 17 44  1  0  0  0
 18 19  1  0  0  0
 18 45  1  0  0  0
 18 46  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 47  1  0  0  0
 21 22  2  0  0  0
 21 48  1  0  0  0
 22 23  1  0  0  0
 22 49  1  0  0  0
 23 24  2  0  0  0
 23 50  1  0  0  0
 24 51  1  0  0  0
M  END

>  <Chemical Name>
Ifenprodil

>  <PubChem CID>
3689

>  <Formula>
C21H27NO2

>  <Molecular Weight>
325.452000

>  <IUPAC Name>
4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C(C1=CC=C(C=C1)O)O)N2CCC(CC2)CC3=CC=CC=C3

>  <Isomeric SMILES>
CC(C(C1=CC=C(C=C1)O)O)N2CCC(CC2)CC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3

>  <InChI Key>
UYNVMODNBIQBMV-UHFFFAOYSA-N

