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

Systemtic Name: 6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-4-oxidanylidene-1-(1-oxidanylpropan-2-yl)-8-propan-2-yloxy-quinoline-3-carboxylic acid Openeye Name: 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-(2-hydroxy-1-methyl-ethyl)-8-isopropoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(1-hydroxypropan-2-yl)-4-oxo-8-propan-2-yloxy-3-quinolinecarboxylic acid IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(1-hydroxypropan-2-yl)-4-oxo-8-propan-2-yloxyquinoline-3-carboxylic acid Traditional Name: 6-(3-chloro-2-fluoro-benzyl)-1-(2-hydroxy-1-methyl-ethyl)-8-isopropoxy-4-keto-quinoline-3-carboxylic acid Formula: C23H23ClFNO5 MolecularWeight: 447.883823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C2C(=CC(=C1)CC3=C(C(=CC=C3)Cl)F)C(=O)C(=CN2C(C)CO)C(=O)O

Isomeric SMILES

CC(C)OC1=C2C(=CC(=C1)CC3=C(C(=CC=C3)Cl)F)C(=O)C(=CN2C(C)CO)C(=O)O

InChI

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