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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C2C(=CC(=C1)CC3=C(C(=CC=C3)Cl)F)C(=O)C(=CN2C(CO)C(C)(C)C)C(=O)O

Isomeric SMILES

CC(C)OC1=C2C(=CC(=C1)CC3=C(C(=CC=C3)Cl)F)C(=O)C(=CN2C(CO)C(C)(C)C)C(=O)O

InChI

InChI=1S/C26H29ClFNO5/c1-14(2)34-20-11-15(9-16-7-6-8-19(27)22(16)28)10-17-23(20)29(21(13-30)26(3,4)5)12-18(24(17)31)25(32)33/h6-8,10-12,14,21,30H,9,13H2,1-5H3,(H,32,33)