6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-7-ethoxy-1-(3-methyl-1-oxidanyl-butan-2-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-7-ethoxy-1-(3-methyl-1-oxidanyl-butan-2-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-[(3-chloro-2-fluoro-phenyl)methyl]-7-ethoxy-1-[1-(hydroxymethyl)-2-methyl-propyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(3-chloro-2-fluorophenyl)methyl]-7-ethoxy-1-(1-hydroxy-3-methylbutan-2-yl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-7-ethoxy-1-(1-hydroxy-3-methylbutan-2-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-(3-chloro-2-fluoro-benzyl)-7-ethoxy-4-keto-1-(2-methyl-1-methylol-propyl)quinoline-3-carboxylic acid Formula: C24H25ClFNO5 MolecularWeight: 461.910403

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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)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)CC3=C(C(=CC=C3)Cl)F

InChI

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