6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-(3,3-dimethyl-1-oxidanyl-butan-2-yl)-8-ethoxy-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-ethoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-[(3-chloro-2-fluoro-phenyl)methyl]-8-ethoxy-1-[1-(hydroxymethyl)-2,2-dimethyl-propyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(3-chloro-2-fluorophenyl)methyl]-8-ethoxy-1-(1-hydroxy-3,3-dimethylbutan-2-yl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-8-ethoxy-1-(1-hydroxy-3,3-dimethylbutan-2-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-(3-chloro-2-fluoro-benzyl)-1-(2,2-dimethyl-1-methylol-propyl)-8-ethoxy-4-keto-quinoline-3-carboxylic acid Formula: C25H27ClFNO5 MolecularWeight: 475.936983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC(=C1)CC3=C(C(=CC=C3)Cl)F)C(=O)C(=CN2C(CO)C(C)(C)C)C(=O)O

Isomeric SMILES

CCOC1=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/C25H27ClFNO5/c1-5-33-19-11-14(9-15-7-6-8-18(26)21(15)27)10-16-22(19)28(20(13-29)25(2,3)4)12-17(23(16)30)24(31)32/h6-8,10-12,20,29H,5,9,13H2,1-4H3,(H,31,32)