Mrv0541 12051313212D          

 21 23  0  0  0  0            999 V2000
    8.0346   -8.6430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3201   -8.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6057   -8.6430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6057   -9.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3201   -9.8805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0346   -9.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3201   -7.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0346   -6.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0346   -6.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3201   -5.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6057   -6.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6057   -6.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3201   -4.9305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0346   -4.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6057   -4.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7491   -4.9305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0346   -3.6930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8912   -5.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1767   -6.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1767   -6.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8912   -7.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  6  1  1  0  0  0  0
 10 13  1  0  0  0  0
  2  7  1  0  0  0  0
 13 14  1  0  0  0  0
  1  2  1  0  0  0  0
 13 15  1  0  0  0  0
  2  3  1  0  0  0  0
 14 16  1  0  0  0  0
  3  4  1  0  0  0  0
 14 17  2  0  0  0  0
 11 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 12 21  1  0  0  0  0
M  END
> <ID>
CHEBI:76284

> <NAME>
2-(4-cyclohexyl-1-naphthyl)propanoic acid

> <DEFINITION>
A member of the class of naphthalenes that is propionic acid in which one of the α-hydrogens is replaced by a 4-cyclohexyl-1-naphthyl group.

> <STAR>
3

> <SYNONYM>
4-cyclohexyl-alpha-methyl-1-naphthaleneacetic acid

> <IUPAC_NAME>
2-(4-cyclohexyl-1-naphthyl)propanoic acid

> <FORMULA>
C19H22O2

> <MASS>
282.37680

> <MONOISOTOPIC_MASS>
282.16198

> <CHARGE>
0

> <SMILES>
CC(C(O)=O)c1ccc(C2CCCCC2)c2ccccc12

> <INCHI>
InChI=1S/C19H22O2/c1-13(19(20)21)15-11-12-16(14-7-3-2-4-8-14)18-10-6-5-9-17(15)18/h5-6,9-14H,2-4,7-8H2,1H3,(H,20,21)

> <INCHIKEY>
VZUGVMQFWFVFBX-UHFFFAOYSA-N

$$$$