2-[2-methyl-2-(methylamino)pyrrolidin-1-yl]-4-oxidanylidene-8-(trifluoromethyl)-1H-quinoline-3-carboxylic acid

Systemtic Name: 2-[2-methyl-2-(methylamino)pyrrolidin-1-yl]-4-oxidanylidene-8-(trifluoromethyl)-1H-quinoline-3-carboxylic acid Openeye Name: 2-[2-methyl-2-(methylamino)pyrrolidin-1-yl]-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxylic acid CAS Name: 2-[2-methyl-2-(methylamino)-1-pyrrolidinyl]-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxylic acid IUPAC Name: 2-[2-methyl-2-(methylamino)pyrrolidin-1-yl]-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxylic acid Traditional Name: 4-keto-2-[2-methyl-2-(methylamino)pyrrolidino]-8-(trifluoromethyl)-1H-quinoline-3-carboxylic acid Formula: C17H18F3N3O3 MolecularWeight: 369.33833

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCN1C2=C(C(=O)C3=C(N2)C(=CC=C3)C(F)(F)F)C(=O)O)NC

Isomeric SMILES

CC1(CCCN1C2=C(C(=O)C3=C(N2)C(=CC=C3)C(F)(F)F)C(=O)O)NC

InChI

InChI=1S/C17H18F3N3O3/c1-16(21-2)7-4-8-23(16)14-11(15(25)26)13(24)9-5-3-6-10(12(9)22-14)17(18,19)20/h3,5-6,21H,4,7-8H2,1-2H3,(H,22,24)(H,25,26)