(2-chloranyl-6-fluoranyl-phenyl)methyl 4-[(5-bromanylquinolin-8-yl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 4-[(5-bromanylquinolin-8-yl)amino]-4-oxidanylidene-butanoate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 4-[(5-bromo-8-quinolyl)amino]-4-oxo-butanoate CAS Name: 4-[(5-bromo-8-quinolinyl)amino]-4-oxobutanoic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 4-[(5-bromoquinolin-8-yl)amino]-4-oxobutanoate Traditional Name: 4-[(5-bromo-8-quinolyl)amino]-4-keto-butyric acid (2-chloro-6-fluoro-benzyl) ester Formula: C20H15BrClFN2O3 MolecularWeight: 465.700103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)COC(=O)CCC(=O)NC2=C3C(=C(C=C2)Br)C=CC=N3)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)COC(=O)CCC(=O)NC2=C3C(=C(C=C2)Br)C=CC=N3)F

InChI

InChI=1S/C20H15BrClFN2O3/c21-14-6-7-17(20-12(14)3-2-10-24-20)25-18(26)8-9-19(27)28-11-13-15(22)4-1-5-16(13)23/h1-7,10H,8-9,11H2,(H,25,26)