6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-(3-methyl-1-oxidanyl-butan-2-yl)-7-oxidanyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-(3-methyl-1-oxidanyl-butan-2-yl)-7-oxidanyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-[(3-chloro-2-fluoro-phenyl)methyl]-7-hydroxy-1-[1-(hydroxymethyl)-2-methyl-propyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(3-chloro-2-fluorophenyl)methyl]-7-hydroxy-1-(1-hydroxy-3-methylbutan-2-yl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-7-hydroxy-1-(1-hydroxy-3-methylbutan-2-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-(3-chloro-2-fluoro-benzyl)-7-hydroxy-4-keto-1-(2-methyl-1-methylol-propyl)quinoline-3-carboxylic acid Formula: C22H21ClFNO5 MolecularWeight: 433.857243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CO)N1C=C(C(=O)C2=CC(=C(C=C21)O)CC3=C(C(=CC=C3)Cl)F)C(=O)O

Isomeric SMILES

CC(C)C(CO)N1C=C(C(=O)C2=CC(=C(C=C21)O)CC3=C(C(=CC=C3)Cl)F)C(=O)O

InChI

InChI=1S/C22H21ClFNO5/c1-11(2)18(10-26)25-9-15(22(29)30)21(28)14-7-13(19(27)8-17(14)25)6-12-4-3-5-16(23)20(12)24/h3-5,7-9,11,18,26-27H,6,10H2,1-2H3,(H,29,30)