3-[6-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]carbonylpyridin-2-yl]propanoic acid

Systemtic Name: 3-[6-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]carbonylpyridin-2-yl]propanoic acid Openeye Name: 3-[6-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)benzoyl]-2-pyridyl]propanoic acid CAS Name: 3-[6-[oxo-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]methyl]-2-pyridinyl]propanoic acid IUPAC Name: 3-[6-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)benzoyl]pyridin-2-yl]propanoic acid Traditional Name: 3-[6-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)benzoyl]-2-pyridyl]propionic acid Formula: C16H15NO3 MolecularWeight: 276.338332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=NC(=CC=C2)CCC(=O)O

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1C(=O)C2=NC(=CC=C2)CCC(=O)O)[2H])[2H])C([2H])([2H])[2H])[2H]

InChI

InChI=1S/C16H15NO3/c1-11-5-7-12(8-6-11)16(20)14-4-2-3-13(17-14)9-10-15(18)19/h2-8H,9-10H2,1H3,(H,18,19)/i1D3,5D,6D,7D,8D