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

Systemtic Name: 3-phenyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonylamino]propanoic acid Openeye Name: 3-phenyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]amino]propanoic acid CAS Name: 2-[[oxo-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]amino]propanoic acid Traditional Name: 3-phenyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]amino]propionic acid Formula: C21H22F3N3O3 MolecularWeight: 421.41289

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H22F3N3O3/c22-21(23,24)16-7-4-8-17(14-16)26-9-11-27(12-10-26)20(30)25-18(19(28)29)13-15-5-2-1-3-6-15/h1-8,14,18H,9-13H2,(H,25,30)(H,28,29)