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

Systemtic Name: 7-(3-acetamidopyrrolidin-1-yl)-6,8-bis(fluoranyl)-1-(4-hydroxyphenyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(3-acetamidopyrrolidin-1-yl)-6,8-difluoro-1-(4-hydroxyphenyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(3-acetamido-1-pyrrolidinyl)-6,8-difluoro-1-(4-hydroxyphenyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(3-acetamidopyrrolidin-1-yl)-6,8-difluoro-1-(4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(3-acetamidopyrrolidino)-6,8-difluoro-1-(4-hydroxyphenyl)-4-keto-quinoline-3-carboxylic acid Formula: C22H19F2N3O5 MolecularWeight: 443.400166

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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=C(C=C4)O)F

Isomeric SMILES

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

InChI

InChI=1S/C22H19F2N3O5/c1-11(28)25-12-6-7-26(9-12)20-17(23)8-15-19(18(20)24)27(10-16(21(15)30)22(31)32)13-2-4-14(29)5-3-13/h2-5,8,10,12,29H,6-7,9H2,1H3,(H,25,28)(H,31,32)