2-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-8-(trifluoromethyl)quinoline-3-carboxylic acid

Systemtic Name: 2-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-8-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 2-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 2-[3-(aminomethyl)-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-4-oxo-8-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 2-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 2-[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:

C1CC1N2C3=C(C=C(C=C3C(=O)C(=C2N4CCC(C4)CN)C(=O)O)F)C(F)(F)F

Isomeric SMILES

C1CC1N2C3=C(C=C(C=C3C(=O)C(=C2N4CCC(C4)CN)C(=O)O)F)C(F)(F)F

InChI

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