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[Benzyl-(7-chloro-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carbonyl)amino]acetic acid, ethyl ester
SpectraBase Compound ID LLf3XVyyB7p
InChI InChI=1S/C23H22ClFN2O4/c1-3-26-13-17(22(29)16-10-19(25)18(24)11-20(16)26)23(30)27(14-21(28)31-4-2)12-15-8-6-5-7-9-15/h5-11,13H,3-4,12,14H2,1-2H3
InChIKey OHDHYHJYJVWUKJ-UHFFFAOYSA-N
Mol Weight 444.89 g/mol
Molecular Formula C23H22ClFN2O4
Exact Mass 444.125213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LcnsynrSwiV
Name [Benzyl-(7-chloro-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carbonyl)amino]acetic acid, ethyl ester
Alternate Name(s) 2-[benzyl-(7-chloro-1-ethyl-6-fluoro-4-keto-quinoline-3-carbonyl)amino]acetic acid ethyl ester 2-[[(7-chloro-1-ethyl-6-fluoro-4-oxo-3-quinolinyl)-oxomethyl]-(phenylmethyl)amino]acetic acid ethyl ester Ethyl (benzyl[(7-chloro-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinyl)carbonyl]amino)acetate Ethyl 2-[(7-chloranyl-1-ethyl-6-fluoranyl-4-oxidanylidene-quinolin-3-yl)carbonyl-(phenylmethyl)amino]ethanoate Ethyl 2-[benzyl-(7-chloro-1-ethyl-6-fluoro-4-oxo-quinoline-3-carbonyl)amino]acetate
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Formula C23H22ClFN2O4
InChI InChI=1S/C23H22ClFN2O4/c1-3-26-13-17(22(29)16-10-19(25)18(24)11-20(16)26)23(30)27(14-21(28)31-4-2)12-15-8-6-5-7-9-15/h5-11,13H,3-4,12,14H2,1-2H3
InChIKey OHDHYHJYJVWUKJ-UHFFFAOYSA-N
Molecular Weight 444.890 g/mol
SMILES c1cccc(CN(C(C=2C(c3cc(c(cc3N(C2)CC)Cl)F)=O)=O)CC(OCC)=O)c1
SPLASH splash10-0f6x-3981000000-4c818bccffb8fd36c65d
Wiley ID 1475049