6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-4-oxidanylidene-1-[(2S)-1-oxidanylpropan-2-yl]-7-propan-2-yloxy-quinoline-3-carboxylic acid

Systemtic Name: 6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-4-oxidanylidene-1-[(2S)-1-oxidanylpropan-2-yl]-7-propan-2-yloxy-quinoline-3-carboxylic acid Openeye Name: 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-[(1S)-2-hydroxy-1-methyl-ethyl]-7-isopropoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-[(2S)-1-hydroxypropan-2-yl]-4-oxo-7-propan-2-yloxy-3-quinolinecarboxylic acid IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-[(2S)-1-hydroxypropan-2-yl]-4-oxo-7-propan-2-yloxyquinoline-3-carboxylic acid Traditional Name: 6-(3-chloro-2-fluoro-benzyl)-1-[(1S)-2-hydroxy-1-methyl-ethyl]-7-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=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C(C)CO)CC3=C(C(=CC=C3)Cl)F

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClFNO5/c1-12(2)31-20-9-19-16(8-15(20)7-14-5-4-6-18(24)21(14)25)22(28)17(23(29)30)10-26(19)13(3)11-27/h4-6,8-10,12-13,27H,7,11H2,1-3H3,(H,29,30)/t13-/m0/s1