6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-8-methoxy-1-(3-methyl-1-oxidanyl-butan-2-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-8-methoxy-1-(3-methyl-1-oxidanyl-butan-2-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-[1-(hydroxymethyl)-2-methyl-propyl]-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(1-hydroxy-3-methylbutan-2-yl)-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(1-hydroxy-3-methylbutan-2-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-(3-chloro-2-fluoro-benzyl)-4-keto-8-methoxy-1-(2-methyl-1-methylol-propyl)quinoline-3-carboxylic acid Formula: C23H23ClFNO5 MolecularWeight: 447.883823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClFNO5/c1-12(2)18(11-27)26-10-16(23(29)30)22(28)15-8-13(9-19(31-3)21(15)26)7-14-5-4-6-17(24)20(14)25/h4-6,8-10,12,18,27H,7,11H2,1-3H3,(H,29,30)