7-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-8-(trifluoromethyl)quinoline-3-carboxylic acid

Systemtic Name: 7-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-8-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 7-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 7-[3-(aminomethyl)-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-4-oxo-8-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 7-[3-(aminomethyl)pyrrolidino]-1-cyclopropyl-6-fluoro-4-keto-8-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C19H19F4N3O3 MolecularWeight: 413.366073

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)C(F)(F)F)N4CCC(C4)CN)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)C(F)(F)F)N4CCC(C4)CN)F)C(=O)O

InChI

InChI=1S/C19H19F4N3O3/c20-13-5-11-15(26(10-1-2-10)8-12(17(11)27)18(28)29)14(19(21,22)23)16(13)25-4-3-9(6-24)7-25/h5,8-10H,1-4,6-7,24H2,(H,28,29)