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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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