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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C[C@@H](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/c1-13(2)7-16(12-28)27-11-18(24(30)31)23(29)17-9-15(21(32-3)10-20(17)27)8-14-5-4-6-19(25)22(14)26/h4-6,9-11,13,16,28H,7-8,12H2,1-3H3,(H,30,31)/t16-/m0/s1