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

Systemtic Name: 6-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-7-methoxy-1-[(2S)-3-methyl-1-oxidanyl-butan-2-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-[(3-chloro-4-fluoro-phenyl)methyl]-1-[(1S)-1-(hydroxymethyl)-2-methyl-propyl]-7-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(3-chloro-4-fluorophenyl)methyl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-[(3-chloro-4-fluorophenyl)methyl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-(3-chloro-4-fluoro-benzyl)-4-keto-7-methoxy-1-[(1S)-2-methyl-1-methylol-propyl]quinoline-3-carboxylic acid Formula: C23H23ClFNO5 MolecularWeight: 447.883823

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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(=C(C=C3)F)Cl)C(=O)O

Isomeric SMILES

CC(C)[C@@H](CO)N1C=C(C(=O)C2=CC(=C(C=C21)OC)CC3=CC(=C(C=C3)F)Cl)C(=O)O

InChI

InChI=1S/C23H23ClFNO5/c1-12(2)20(11-27)26-10-16(23(29)30)22(28)15-8-14(21(31-3)9-19(15)26)6-13-4-5-18(25)17(24)7-13/h4-5,7-10,12,20,27H,6,11H2,1-3H3,(H,29,30)/t20-/m1/s1