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

Systemtic Name: 6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-(3,3-dimethyl-1-oxidanyl-butan-2-yl)-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-[1-(hydroxymethyl)-2,2-dimethyl-propyl]-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(1-hydroxy-3,3-dimethylbutan-2-yl)-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(1-hydroxy-3,3-dimethylbutan-2-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-(3-chloro-2-fluoro-benzyl)-1-(2,2-dimethyl-1-methylol-propyl)-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C24H25ClFNO5 MolecularWeight: 461.910403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25ClFNO5/c1-24(2,3)19(12-28)27-11-16(23(30)31)22(29)15-9-13(10-18(32-4)21(15)27)8-14-6-5-7-17(25)20(14)26/h5-7,9-11,19,28H,8,12H2,1-4H3,(H,30,31)