4-methyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonylamino]pentanoic acid

Systemtic Name: 4-methyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonylamino]pentanoic acid Openeye Name: 4-methyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]amino]pentanoic acid CAS Name: 4-methyl-2-[[oxo-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]amino]pentanoic acid Traditional Name: 4-methyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]amino]valeric acid Formula: C18H24F3N3O3 MolecularWeight: 387.39667

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)N1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)N1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C18H24F3N3O3/c1-12(2)10-15(16(25)26)22-17(27)24-8-6-23(7-9-24)14-5-3-4-13(11-14)18(19,20)21/h3-5,11-12,15H,6-10H2,1-2H3,(H,22,27)(H,25,26)