6-fluoranyl-4-(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)oxy-quinoline-2-carboxylic acid

Systemtic Name: 6-fluoranyl-4-(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)oxy-quinoline-2-carboxylic acid Openeye Name: 4-(1-carboxy-3-phenyl-propoxy)-6-fluoro-quinoline-2-carboxylic acid CAS Name: 6-fluoro-4-(1-hydroxy-1-oxo-4-phenylbutan-2-yl)oxy-2-quinolinecarboxylic acid IUPAC Name: 6-fluoro-4-(1-hydroxy-1-oxo-4-phenylbutan-2-yl)oxyquinoline-2-carboxylic acid Traditional Name: 4-(1-carboxy-3-phenyl-propoxy)-6-fluoro-quinaldic acid Formula: C20H16FNO5 MolecularWeight: 369.343143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(=O)O)OC2=CC(=NC3=C2C=C(C=C3)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(C(=O)O)OC2=CC(=NC3=C2C=C(C=C3)F)C(=O)O

InChI

InChI=1S/C20H16FNO5/c21-13-7-8-15-14(10-13)18(11-16(22-15)19(23)24)27-17(20(25)26)9-6-12-4-2-1-3-5-12/h1-5,7-8,10-11,17H,6,9H2,(H,23,24)(H,25,26)