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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClFNO4/c1-3-13(2)20(12-27)26-11-17(23(29)30)22(28)16-10-14(7-8-19(16)26)9-15-5-4-6-18(24)21(15)25/h4-8,10-11,13,20,27H,3,9,12H2,1-2H3,(H,29,30)