methyl 3,3,3-trideuterio-2-[4-(4-ethanoylphenyl)-3-fluoranyl-phenyl]propanoate

Systemtic Name: methyl 3,3,3-trideuterio-2-[4-(4-ethanoylphenyl)-3-fluoranyl-phenyl]propanoate Openeye Name: methyl 2-[4-(4-acetylphenyl)-3-fluoro-phenyl]-3,3,3-trideuterio-propanoate CAS Name: 2-[4-(4-acetylphenyl)-3-fluorophenyl]-3,3,3-trideuteriopropanoic acid methyl ester IUPAC Name: methyl 2-[4-(4-acetylphenyl)-3-fluorophenyl]-3,3,3-trideuteriopropanoate Traditional Name: 2-[4-(4-acetylphenyl)-3-fluoro-phenyl]-3,3,3-trideuterio-propionic acid methyl ester Formula: C18H17FO3 MolecularWeight: 303.342669

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)C2=CC=C(C=C2)C(=O)C)F)C(=O)OC

Isomeric SMILES

[2H]C([2H])([2H])C(C1=CC(=C(C=C1)C2=CC=C(C=C2)C(=O)C)F)C(=O)OC

InChI

InChI=1S/C18H17FO3/c1-11(18(21)22-3)15-8-9-16(17(19)10-15)14-6-4-13(5-7-14)12(2)20/h4-11H,1-3H3/i1D3