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Reference substance information

IUPAC name:
heptan-2-yl [(5-chloroquinolin-8-yl)oxy]acetate
Synonyms
Names:
(2RS)-heptan-2-yl [(5-chloroquinolin-8-yl)oxy]acetate
(5-chloro-quinolin-8-yloxy)-acetic acid 1-methyl-hexyl ester
1-methylhexyl (5-chloroquinolin-8-yloxy)acetate
1-methylhexyl [(5-chloroquinolin-8-yl)oxy]acetate
CGA 185072
CGA185072
Cloquintocet-mexyl
cloquintocet-mexyl
Identifier:
CAS number
99607-70-2
Identifier:
IUPAC name
1-methylhexyl-(5-chloroquinolin-8-yloxy)acetate
Identifier:
IUPAC name
Heptan-2-yl [(5-chloroquinolin-8-yl)oxy]acetate
Identifier:
other: InChl
1/C18H22ClNO3/c1-3-4-5-7-13(2)23-17(21)12-22-16-10-9-15(19)14-8-6-11-20-18(14)16/h6, 8-11, 13H, 3-5, 7, 12H2, 1-2H3
Identifier:
other: Molecular formula
C18H22CIN03
Identifier:
other: SMILES notation
CC(CCCC)OC(=O)COc1ccc(Cl)c2cccnc12
Identifier:
other: SMILES notation
O=C(O)C(C(C)CCCCC)OC1=C2N=CC=CC2=C(Cl)C=C1

CAS information

CAS number:
99607-70-2

Molecular and structural information

Molecular formula:
C18H22ClNO3
Molecular weight:
335.825
SMILES notation:
CC(CCCCC)OC(=O)COc1ccc(Cl)c2cccnc12
InChl:
InChI=1S/C18H22ClNO3/c1-3-4-5-7-13(2)23-17(21)12-22-16-10-9-15(19)14-8-6-11-20-18(14)16/h6,8-11,13H,3-5,7,12H2,1-2H3
Structural formula:
Chemical structure