6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-(3,3-dimethyl-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-(3,3-dimethyl-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)-2,2-dimethyl-propyl]-7-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-7-propan-2-yloxy-3-quinolinecarboxylic acid IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(1-hydroxy-3,3-dimethylbutan-2-yl)-4-oxo-7-propan-2-yloxyquinoline-3-carboxylic acid Traditional Name: 6-(3-chloro-2-fluoro-benzyl)-1-(2,2-dimethyl-1-methylol-propyl)-7-isopropoxy-4-keto-quinoline-3-carboxylic acid Formula: C26H29ClFNO5 MolecularWeight: 489.963563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C(CO)C(C)(C)C)CC3=C(C(=CC=C3)Cl)F

Isomeric SMILES

CC(C)OC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C(CO)C(C)(C)C)CC3=C(C(=CC=C3)Cl)F

InChI

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