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

Systemtic Name: 6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-(3-methyl-1-oxidanyl-butan-2-yl)-4-oxidanylidene-7-propan-2-yloxy-quinoline-3-carboxylic acid Openeye Name: 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-[1-(hydroxymethyl)-2-methyl-propyl]-7-isopropoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(1-hydroxy-3-methylbutan-2-yl)-4-oxo-7-propan-2-yloxy-3-quinolinecarboxylic acid IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(1-hydroxy-3-methylbutan-2-yl)-4-oxo-7-propan-2-yloxyquinoline-3-carboxylic acid Traditional Name: 6-(3-chloro-2-fluoro-benzyl)-7-isopropoxy-4-keto-1-(2-methyl-1-methylol-propyl)quinoline-3-carboxylic acid Formula: C25H27ClFNO5 MolecularWeight: 475.936983

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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)C)CC3=C(C(=CC=C3)Cl)F)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClFNO5/c1-13(2)21(12-29)28-11-18(25(31)32)24(30)17-9-16(22(10-20(17)28)33-14(3)4)8-15-6-5-7-19(26)23(15)27/h5-7,9-11,13-14,21,29H,8,12H2,1-4H3,(H,31,32)