
 1-Benzyl-1,2,3,6-tetrahydro-pyridine-4-carboxylic acid ethyl ester

 39 39  0  0  0  0  0  0  0  0999 V2000
    3.9571   -1.1944    0.8464 C   0  0  0  0  0
    3.7507   -0.3984    2.1343 C   0  0  0  0  0
    4.0498    0.9417    1.9634 O   0  0  0  0  0
    5.2930    1.4400    1.7178 C   0  0  0  0  0
    6.2630    0.6956    1.6750 O   0  0  0  0  0
    5.4767    2.9004    1.5079 C   0  0  0  0  0
    4.4132    3.7294    1.5870 C   0  0  0  0  0
    4.5098    5.2113    1.3061 C   0  0  0  0  0
    5.7773    5.6173    0.6504 N   0  0  0  0  0
    6.9187    4.9736    1.3208 C   0  0  0  0  0
    6.8601    3.4393    1.2016 C   0  0  0  0  0
    5.8047    5.4099   -0.8174 C   0  0  0  0  0
    4.7019    6.1678   -1.5169 C   0  0  0  0  0
    4.5885    7.5600   -1.3678 C   0  0  0  0  0
    3.5532    8.2522   -2.0058 C   0  0  0  0  0
    2.6314    7.5617   -2.7983 C   0  0  0  0  0
    2.7417    6.1779   -2.9545 C   0  0  0  0  0
    3.7710    5.4811   -2.3162 C   0  0  0  0  0
    1.6036   -4.2665    0.1064 Cl  0  0  0  0  0
    3.6686   -2.2520    1.0185 H   0  0  0  0  0
    5.0182   -1.1740    0.5259 H   0  0  0  0  0
    3.3246   -0.7766    0.0348 H   0  0  0  0  0
    4.3608   -0.8242    2.9599 H   0  0  0  0  0
    2.6799   -0.4795    2.4178 H   0  0  0  0  0
    3.4372    3.3385    1.8574 H   0  0  0  0  0
    3.6421    5.5067    0.6824 H   0  0  0  0  0
    4.3891    5.7531    2.2682 H   0  0  0  0  0
    6.8794    5.2442    2.4003 H   0  0  0  0  0
    7.8879    5.3543    0.9311 H   0  0  0  0  0
    7.6036    3.0320    1.9202 H   0  0  0  0  0
    7.1499    3.0913    0.1878 H   0  0  0  0  0
    5.7282    4.3301   -1.0650 H   0  0  0  0  0
    6.7727    5.7831   -1.2186 H   0  0  0  0  0
    5.2952    8.1031   -0.7529 H   0  0  0  0  0
    3.4638    9.3239   -1.8843 H   0  0  0  0  0
    1.8308    8.0982   -3.2907 H   0  0  0  0  0
    2.0282    5.6434   -3.5684 H   0  0  0  0  0
    3.8424    4.4078   -2.4431 H   0  0  0  0  0
    1.6557   -4.6090   -1.2246 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6 11  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 25  1  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  8 27  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
 10 11  1  0  0  0
 10 28  1  0  0  0
 10 29  1  0  0  0
 11 30  1  0  0  0
 11 31  1  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 12 33  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 15 16  2  0  0  0
 15 35  1  0  0  0
 16 17  1  0  0  0
 16 36  1  0  0  0
 17 18  2  0  0  0
 17 37  1  0  0  0
 18 38  1  0  0  0
 19 39  1  0  0  0
M  END

>  <Chemical Name>
1-Benzyl-1,2,3,6-tetrahydro-pyridine-4-carboxylic acid ethyl ester

>  <PubChem CID>
2893620

>  <Formula>
C15H20ClNO2

>  <Molecular Weight>
281.780000

>  <IUPAC Name>
ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCOC(=O)C1=CCN(CC1)CC2=CC=CC=C2.Cl

>  <Isomeric SMILES>
CCOC(=O)C1=CCN(CC1)CC2=CC=CC=C2.Cl

>  <InChI Std. ID>
InChI=1S/C15H19NO2.ClH/c1-2-18-15(17)14-8-10-16(11-9-14)12-13-6-4-3-5-7-13;/h3-8H,2,9-12H2,1H3;1H

>  <InChI Key>
FGCZOXGJFCPSAT-UHFFFAOYSA-N

