(4-ethanoylphenyl)methyl 4-[(5-bromanylquinolin-8-yl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (4-ethanoylphenyl)methyl 4-[(5-bromanylquinolin-8-yl)amino]-4-oxidanylidene-butanoate Openeye Name: (4-acetylphenyl)methyl 4-[(5-bromo-8-quinolyl)amino]-4-oxo-butanoate CAS Name: 4-[(5-bromo-8-quinolinyl)amino]-4-oxobutanoic acid (4-acetylphenyl)methyl ester IUPAC Name: (4-acetylphenyl)methyl 4-[(5-bromoquinolin-8-yl)amino]-4-oxobutanoate Traditional Name: 4-[(5-bromo-8-quinolyl)amino]-4-keto-butyric acid (4-acetylbenzyl) ester Formula: C22H19BrN2O4 MolecularWeight: 455.30126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19BrN2O4/c1-14(26)16-6-4-15(5-7-16)13-29-21(28)11-10-20(27)25-19-9-8-18(23)17-3-2-12-24-22(17)19/h2-9,12H,10-11,13H2,1H3,(H,25,27)