2823122
  CDK     0427212323

 19 19  0  0  0  0  0  0  0  0999 V2000
    5.0116    3.8899    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    0.2558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.5557    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.9682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.7932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.9682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.7308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    5.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    4.7932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.3182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    6.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    6.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    6.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    1.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    7.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    7.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    7.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 16  1  0  0  0  0 
  3 16  2  0  0  0  0 
  4  5  1  0  0  0  0 
  4  7  1  0  0  0  0 
  4  8  1  0  0  0  0 
  5  6  1  0  0  0  0 
  6  9  1  0  0  0  0 
  7 10  1  0  0  0  0 
  8 11  1  0  0  0  0 
  9 10  2  0  0  0  0 
  9 12  1  0  0  0  0 
 11 13  1  0  0  0  0 
 12 14  2  0  0  0  0 
 12 15  1  0  0  0  0 
 13 16  1  0  0  0  0 
 14 17  1  0  0  0  0 
 15 18  2  0  0  0  0 
 17 19  2  0  0  0  0 
 18 19  1  0  0  0  0 
M  END
> <ID>
CHEBI:170057

> <NAME>
4-[4-phenyl-3,6-dihydro-1(2H)-pyridinyl]butanoic acid hydrochloride

> <STAR>
2

> <IUPAC_NAME>
4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid;hydrochloride

> <FORMULA>
C15H19NO2.ClH

> <MASS>
281.780

> <MONOISOTOPIC_MASS>
281.11826

> <CHARGE>
0

> <SMILES>
Cl.OC(=O)CCCN1CCC(=CC1)C2=CC=CC=C2

> <INCHI>
InChI=1S/C15H19NO2.ClH/c17-15(18)7-4-10-16-11-8-14(9-12-16)13-5-2-1-3-6-13;/h1-3,5-6,8H,4,7,9-12H2,(H,17,18);1H

> <INCHIKEY>
OUUJCRMFXWWRGV-UHFFFAOYSA-N

$$$$