3-[2-methyl-4-oxidanyl-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-[2-methyl-4-oxidanyl-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-[4-hydroxy-2-methyl-6-(trifluoromethyl)phenyl]propanoic acid CAS Name: 3-[4-hydroxy-2-methyl-6-(trifluoromethyl)phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-[4-hydroxy-2-methyl-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-[4-hydroxy-2-methyl-6-(trifluoromethyl)phenyl]propionic acid Formula: C16H20F3NO5 MolecularWeight: 363.32891

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C(=O)O)NC(=O)OC(C)(C)C)C(F)(F)F)O

Isomeric SMILES

CC1=CC(=CC(=C1CC(C(=O)O)NC(=O)OC(C)(C)C)C(F)(F)F)O

InChI

InChI=1S/C16H20F3NO5/c1-8-5-9(21)6-11(16(17,18)19)10(8)7-12(13(22)23)20-14(24)25-15(2,3)4/h5-6,12,21H,7H2,1-4H3,(H,20,24)(H,22,23)