6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-[(2R)-1-oxidanylbutan-2-yl]-4-oxidanylidene-8-propan-2-yloxy-quinoline-3-carboxylic acid

Systemtic Name: 6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-[(2R)-1-oxidanylbutan-2-yl]-4-oxidanylidene-8-propan-2-yloxy-quinoline-3-carboxylic acid Openeye Name: 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-[(1R)-1-(hydroxymethyl)propyl]-8-isopropoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-[(2R)-1-hydroxybutan-2-yl]-4-oxo-8-propan-2-yloxy-3-quinolinecarboxylic acid IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-[(2R)-1-hydroxybutan-2-yl]-4-oxo-8-propan-2-yloxyquinoline-3-carboxylic acid Traditional Name: 6-(3-chloro-2-fluoro-benzyl)-8-isopropoxy-4-keto-1-[(1R)-1-methylolpropyl]quinoline-3-carboxylic acid Formula: C24H25ClFNO5 MolecularWeight: 461.910403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25ClFNO5/c1-4-16(12-28)27-11-18(24(30)31)23(29)17-9-14(10-20(22(17)27)32-13(2)3)8-15-6-5-7-19(25)21(15)26/h5-7,9-11,13,16,28H,4,8,12H2,1-3H3,(H,30,31)/t16-/m1/s1