2-[[1-[(2-bromanyl-4-tert-butyl-phenyl)methyl]-7-fluoranyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[1-[(2-bromanyl-4-tert-butyl-phenyl)methyl]-7-fluoranyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[1-[(2-bromo-4-tert-butyl-phenyl)methyl]-7-fluoro-2-hydroxy-4-oxo-quinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[1-[(2-bromo-4-tert-butylphenyl)methyl]-7-fluoro-2-hydroxy-4-oxo-3-quinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[1-[(2-bromo-4-tert-butylphenyl)methyl]-7-fluoro-2-hydroxy-4-oxoquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[[1-(2-bromo-4-tert-butyl-benzyl)-7-fluoro-2-hydroxy-4-keto-quinoline-3-carbonyl]amino]acetic acid Formula: C23H22BrFN2O5 MolecularWeight: 505.333583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)CN2C3=C(C=CC(=C3)F)C(=O)C(=C2O)C(=O)NCC(=O)O)Br

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)CN2C3=C(C=CC(=C3)F)C(=O)C(=C2O)C(=O)NCC(=O)O)Br

InChI

InChI=1S/C23H22BrFN2O5/c1-23(2,3)13-5-4-12(16(24)8-13)11-27-17-9-14(25)6-7-15(17)20(30)19(22(27)32)21(31)26-10-18(28)29/h4-9,32H,10-11H2,1-3H3,(H,26,31)(H,28,29)