5-fluoranyl-4-oxidanylidene-3-[[4-piperidin-1-yl-7-(trifluoromethyl)quinolin-3-yl]carbonylamino]pentanoic acid

Systemtic Name: 5-fluoranyl-4-oxidanylidene-3-[[4-piperidin-1-yl-7-(trifluoromethyl)quinolin-3-yl]carbonylamino]pentanoic acid Openeye Name: 5-fluoro-4-oxo-3-[[4-(1-piperidyl)-7-(trifluoromethyl)quinoline-3-carbonyl]amino]pentanoic acid CAS Name: 5-fluoro-4-oxo-3-[[oxo-[4-(1-piperidinyl)-7-(trifluoromethyl)-3-quinolinyl]methyl]amino]pentanoic acid IUPAC Name: 5-fluoro-4-oxo-3-[[4-piperidin-1-yl-7-(trifluoromethyl)quinoline-3-carbonyl]amino]pentanoic acid Traditional Name: 5-fluoro-4-keto-3-[[4-piperidino-7-(trifluoromethyl)quinoline-3-carbonyl]amino]valeric acid Formula: C21H21F4N3O4 MolecularWeight: 455.402753

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C3C=CC(=CC3=NC=C2C(=O)NC(CC(=O)O)C(=O)CF)C(F)(F)F

Isomeric SMILES

C1CCN(CC1)C2=C3C=CC(=CC3=NC=C2C(=O)NC(CC(=O)O)C(=O)CF)C(F)(F)F

InChI

InChI=1S/C21H21F4N3O4/c22-10-17(29)16(9-18(30)31)27-20(32)14-11-26-15-8-12(21(23,24)25)4-5-13(15)19(14)28-6-2-1-3-7-28/h4-5,8,11,16H,1-3,6-7,9-10H2,(H,27,32)(H,30,31)