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

Systemtic Name: 6-[(3-chloranyl-2-fluoranyl-phenyl)-oxidanyl-methyl]-7-methoxy-1-(3-methyl-1-oxidanyl-butan-2-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-[(3-chloro-2-fluoro-phenyl)-hydroxy-methyl]-1-[1-(hydroxymethyl)-2-methyl-propyl]-7-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(3-chloro-2-fluorophenyl)-hydroxymethyl]-1-(1-hydroxy-3-methylbutan-2-yl)-7-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-[(3-chloro-2-fluorophenyl)-hydroxymethyl]-1-(1-hydroxy-3-methylbutan-2-yl)-7-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-[(3-chloro-2-fluoro-phenyl)-hydroxy-methyl]-4-keto-7-methoxy-1-(2-methyl-1-methylol-propyl)quinoline-3-carboxylic acid Formula: C23H23ClFNO6 MolecularWeight: 463.883223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClFNO6/c1-11(2)18(10-27)26-9-15(23(30)31)22(29)13-7-14(19(32-3)8-17(13)26)21(28)12-5-4-6-16(24)20(12)25/h4-9,11,18,21,27-28H,10H2,1-3H3,(H,30,31)