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

Systemtic Name: 3-methyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonylamino]butanoic acid Openeye Name: 3-methyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]amino]butanoic acid CAS Name: 3-methyl-2-[[oxo-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]amino]butanoic acid Traditional Name: 3-methyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]amino]butyric acid Formula: C17H22F3N3O3 MolecularWeight: 373.37009

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22F3N3O3/c1-11(2)14(15(24)25)21-16(26)23-8-6-22(7-9-23)13-5-3-4-12(10-13)17(18,19)20/h3-5,10-11,14H,6-9H2,1-2H3,(H,21,26)(H,24,25)