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

Systemtic Name: 6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-(4-methyl-1-oxidanyl-pentan-2-yl)-4-oxidanylidene-8-propan-2-yloxy-quinoline-3-carboxylic acid Openeye Name: 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-[1-(hydroxymethyl)-3-methyl-butyl]-8-isopropoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(1-hydroxy-4-methylpentan-2-yl)-4-oxo-8-propan-2-yloxy-3-quinolinecarboxylic acid IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(1-hydroxy-4-methylpentan-2-yl)-4-oxo-8-propan-2-yloxyquinoline-3-carboxylic acid Traditional Name: 6-(3-chloro-2-fluoro-benzyl)-8-isopropoxy-4-keto-1-(3-methyl-1-methylol-butyl)quinoline-3-carboxylic acid Formula: C26H29ClFNO5 MolecularWeight: 489.963563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29ClFNO5/c1-14(2)8-18(13-30)29-12-20(26(32)33)25(31)19-10-16(11-22(24(19)29)34-15(3)4)9-17-6-5-7-21(27)23(17)28/h5-7,10-12,14-15,18,30H,8-9,13H2,1-4H3,(H,32,33)