2-[3-(aminomethyl)-3-methyl-pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-5-methyl-4-oxidanylidene-8-(trifluoromethyl)quinoline-3-carboxylic acid

Systemtic Name: 2-[3-(aminomethyl)-3-methyl-pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-5-methyl-4-oxidanylidene-8-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 2-[3-(aminomethyl)-3-methyl-pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-5-methyl-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 2-[3-(aminomethyl)-3-methyl-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-5-methyl-4-oxo-8-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-5-methyl-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 2-[3-(aminomethyl)-3-methyl-pyrrolidino]-1-cyclopropyl-6-fluoro-4-keto-5-methyl-8-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C21H23F4N3O3 MolecularWeight: 441.419233

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C2=C1C(=O)C(=C(N2C3CC3)N4CCC(C4)(C)CN)C(=O)O)C(F)(F)F)F

Isomeric SMILES

CC1=C(C=C(C2=C1C(=O)C(=C(N2C3CC3)N4CCC(C4)(C)CN)C(=O)O)C(F)(F)F)F

InChI

InChI=1S/C21H23F4N3O3/c1-10-13(22)7-12(21(23,24)25)16-14(10)17(29)15(19(30)31)18(28(16)11-3-4-11)27-6-5-20(2,8-26)9-27/h7,11H,3-6,8-9,26H2,1-2H3,(H,30,31)