1-tert-butyl-7-[3-[(cyclopropylamino)methyl]-4-fluoranyl-pyrrolidin-1-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-tert-butyl-7-[3-[(cyclopropylamino)methyl]-4-fluoranyl-pyrrolidin-1-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-tert-butyl-7-[3-[(cyclopropylamino)methyl]-4-fluoro-pyrrolidin-1-yl]-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-tert-butyl-7-[3-[(cyclopropylamino)methyl]-4-fluoro-1-pyrrolidinyl]-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-tert-butyl-7-[3-[(cyclopropylamino)methyl]-4-fluoropyrrolidin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-tert-butyl-7-[3-[(cyclopropylamino)methyl]-4-fluoro-pyrrolidino]-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C22H27F2N3O3 MolecularWeight: 419.464886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CC(C(C3)F)CNC4CC4)F)C(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CC(C(C3)F)CNC4CC4)F)C(=O)O

InChI

InChI=1S/C22H27F2N3O3/c1-22(2,3)27-10-15(21(29)30)20(28)14-6-16(23)19(7-18(14)27)26-9-12(17(24)11-26)8-25-13-4-5-13/h6-7,10,12-13,17,25H,4-5,8-9,11H2,1-3H3,(H,29,30)