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

Systemtic Name: 1-tert-butyl-6-fluoranyl-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-tert-butyl-6-fluoro-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-tert-butyl-6-fluoro-7-[3-(methylaminomethyl)-1-pyrrolidinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-tert-butyl-6-fluoro-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-tert-butyl-6-fluoro-4-keto-7-[3-(methylaminomethyl)pyrrolidino]quinoline-3-carboxylic acid Formula: C20H26FN3O3 MolecularWeight: 375.437143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCC(C3)CNC)F)C(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCC(C3)CNC)F)C(=O)O

InChI

InChI=1S/C20H26FN3O3/c1-20(2,3)24-11-14(19(26)27)18(25)13-7-15(21)17(8-16(13)24)23-6-5-12(10-23)9-22-4/h7-8,11-12,22H,5-6,9-10H2,1-4H3,(H,26,27)