6-[(3-chloranyl-2-fluoranyl-5-oxidanyl-phenyl)methyl]-7-methoxy-1-[(2S)-3-methyl-1-oxidanyl-butan-2-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-[(3-chloranyl-2-fluoranyl-5-oxidanyl-phenyl)methyl]-7-methoxy-1-[(2S)-3-methyl-1-oxidanyl-butan-2-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-[(3-chloro-2-fluoro-5-hydroxy-phenyl)methyl]-1-[(1S)-1-(hydroxymethyl)-2-methyl-propyl]-7-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(3-chloro-2-fluoro-5-hydroxyphenyl)methyl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-[(3-chloro-2-fluoro-5-hydroxyphenyl)methyl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-(3-chloro-2-fluoro-5-hydroxy-benzyl)-4-keto-7-methoxy-1-[(1S)-2-methyl-1-methylol-propyl]quinoline-3-carboxylic acid Formula: C23H23ClFNO6 MolecularWeight: 463.883223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CO)N1C=C(C(=O)C2=CC(=C(C=C21)OC)CC3=CC(=CC(=C3F)Cl)O)C(=O)O

Isomeric SMILES

CC(C)[C@@H](CO)N1C=C(C(=O)C2=CC(=C(C=C21)OC)CC3=CC(=CC(=C3F)Cl)O)C(=O)O

InChI

InChI=1S/C23H23ClFNO6/c1-11(2)19(10-27)26-9-16(23(30)31)22(29)15-6-12(20(32-3)8-18(15)26)4-13-5-14(28)7-17(24)21(13)25/h5-9,11,19,27-28H,4,10H2,1-3H3,(H,30,31)/t19-/m1/s1