6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-(3,3-dimethyl-1-oxidanyl-butan-2-yl)-7-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)-7-ethoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-[(3-chloro-2-fluoro-phenyl)methyl]-7-ethoxy-1-[1-(hydroxymethyl)-2,2-dimethyl-propyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(3-chloro-2-fluorophenyl)methyl]-7-ethoxy-1-(1-hydroxy-3,3-dimethylbutan-2-yl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-7-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)-7-ethoxy-4-keto-quinoline-3-carboxylic acid Formula: C25H27ClFNO5 MolecularWeight: 475.936983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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

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