6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-(2-hydroxyethyl)-4-oxidanylidene-8-phenoxy-quinoline-3-carboxylic acid

Systemtic Name: 6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-(2-hydroxyethyl)-4-oxidanylidene-8-phenoxy-quinoline-3-carboxylic acid Openeye Name: 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-8-phenoxy-quinoline-3-carboxylic acid CAS Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-8-phenoxy-3-quinolinecarboxylic acid IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-8-phenoxyquinoline-3-carboxylic acid Traditional Name: 6-(3-chloro-2-fluoro-benzyl)-1-(2-hydroxyethyl)-4-keto-8-phenoxy-quinoline-3-carboxylic acid Formula: C25H19ClFNO5 MolecularWeight: 467.873463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C3C(=CC(=C2)CC4=C(C(=CC=C4)Cl)F)C(=O)C(=CN3CCO)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=C3C(=CC(=C2)CC4=C(C(=CC=C4)Cl)F)C(=O)C(=CN3CCO)C(=O)O

InChI

InChI=1S/C25H19ClFNO5/c26-20-8-4-5-16(22(20)27)11-15-12-18-23(21(13-15)33-17-6-2-1-3-7-17)28(9-10-29)14-19(24(18)30)25(31)32/h1-8,12-14,29H,9-11H2,(H,31,32)