7-(3-acetamidopyrrolidin-1-yl)-6,8-bis(fluoranyl)-4-oxidanylidene-1-phenyl-quinoline-3-carboxylic acid

Systemtic Name: 7-(3-acetamidopyrrolidin-1-yl)-6,8-bis(fluoranyl)-4-oxidanylidene-1-phenyl-quinoline-3-carboxylic acid Openeye Name: 7-(3-acetamidopyrrolidin-1-yl)-6,8-difluoro-4-oxo-1-phenyl-quinoline-3-carboxylic acid CAS Name: 7-(3-acetamido-1-pyrrolidinyl)-6,8-difluoro-4-oxo-1-phenyl-3-quinolinecarboxylic acid IUPAC Name: 7-(3-acetamidopyrrolidin-1-yl)-6,8-difluoro-4-oxo-1-phenylquinoline-3-carboxylic acid Traditional Name: 7-(3-acetamidopyrrolidino)-6,8-difluoro-4-keto-1-phenyl-quinoline-3-carboxylic acid Formula: C22H19F2N3O4 MolecularWeight: 427.400766

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCN(C1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4=CC=CC=C4)F

Isomeric SMILES

CC(=O)NC1CCN(C1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4=CC=CC=C4)F

InChI

InChI=1S/C22H19F2N3O4/c1-12(28)25-13-7-8-26(10-13)20-17(23)9-15-19(18(20)24)27(14-5-3-2-4-6-14)11-16(21(15)29)22(30)31/h2-6,9,11,13H,7-8,10H2,1H3,(H,25,28)(H,30,31)