2-azanyl-3-[4-[1,6-dimethyl-2-oxidanylidene-4-(trifluoromethyl)pyridin-3-yl]phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[4-[1,6-dimethyl-2-oxidanylidene-4-(trifluoromethyl)pyridin-3-yl]phenyl]propanoic acid Openeye Name: 2-amino-3-[4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridyl]phenyl]propanoic acid CAS Name: 2-amino-3-[4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)pyridin-3-yl]phenyl]propanoic acid Traditional Name: 2-amino-3-[4-[2-keto-1,6-dimethyl-4-(trifluoromethyl)-3-pyridyl]phenyl]propionic acid Formula: C17H17F3N2O3 MolecularWeight: 354.32369

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1C)C2=CC=C(C=C2)CC(C(=O)O)N)C(F)(F)F

Isomeric SMILES

CC1=CC(=C(C(=O)N1C)C2=CC=C(C=C2)CC(C(=O)O)N)C(F)(F)F

InChI

InChI=1S/C17H17F3N2O3/c1-9-7-12(17(18,19)20)14(15(23)22(9)2)11-5-3-10(4-6-11)8-13(21)16(24)25/h3-7,13H,8,21H2,1-2H3,(H,24,25)