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

Systemtic Name: 6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-(4-methyl-1-oxidanyl-pentan-2-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-[1-(hydroxymethyl)-3-methyl-butyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(1-hydroxy-4-methylpentan-2-yl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(1-hydroxy-4-methylpentan-2-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-(3-chloro-2-fluoro-benzyl)-4-keto-1-(3-methyl-1-methylol-butyl)quinoline-3-carboxylic acid Formula: C23H23ClFNO4 MolecularWeight: 431.884423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CO)N1C=C(C(=O)C2=C1C=CC(=C2)CC3=C(C(=CC=C3)Cl)F)C(=O)O

Isomeric SMILES

CC(C)CC(CO)N1C=C(C(=O)C2=C1C=CC(=C2)CC3=C(C(=CC=C3)Cl)F)C(=O)O

InChI

InChI=1S/C23H23ClFNO4/c1-13(2)8-16(12-27)26-11-18(23(29)30)22(28)17-10-14(6-7-20(17)26)9-15-4-3-5-19(24)21(15)25/h3-7,10-11,13,16,27H,8-9,12H2,1-2H3,(H,29,30)