ethyl 2-[(7-chloranyl-1-ethyl-6-fluoranyl-4-oxidanylidene-quinolin-3-yl)carbonyl-(phenylmethyl)amino]ethanoate

Systemtic Name: ethyl 2-[(7-chloranyl-1-ethyl-6-fluoranyl-4-oxidanylidene-quinolin-3-yl)carbonyl-(phenylmethyl)amino]ethanoate Openeye Name: ethyl 2-[benzyl-(7-chloro-1-ethyl-6-fluoro-4-oxo-quinoline-3-carbonyl)amino]acetate CAS Name: 2-[[(7-chloro-1-ethyl-6-fluoro-4-oxo-3-quinolinyl)-oxomethyl]-(phenylmethyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[benzyl-(7-chloro-1-ethyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]acetate Traditional Name: 2-[benzyl-(7-chloro-1-ethyl-6-fluoro-4-keto-quinoline-3-carbonyl)amino]acetic acid ethyl ester Formula: C23H22ClFN2O4 MolecularWeight: 444.883183

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)Cl)F)C(=O)N(CC3=CC=CC=C3)CC(=O)OCC

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)Cl)F)C(=O)N(CC3=CC=CC=C3)CC(=O)OCC

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