ethyl 2,3-dideuterio-2-methyl-3-phenyl-pentanoate

Systemtic Name: ethyl 2,3-dideuterio-2-methyl-3-phenyl-pentanoate Openeye Name: ethyl 2,3-dideuterio-2-methyl-3-phenyl-pentanoate CAS Name: 2,3-dideuterio-2-methyl-3-phenylpentanoic acid ethyl ester IUPAC Name: ethyl 2,3-dideuterio-2-methyl-3-phenylpentanoate Traditional Name: 2,3-dideuterio-2-methyl-3-phenyl-valeric acid ethyl ester Formula: C14H20O2 MolecularWeight: 222.319724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(C)C(=O)OCC

Isomeric SMILES

[2H]C(C)(C(=O)OCC)C([2H])(CC)C1=CC=CC=C1

InChI

InChI=1S/C14H20O2/c1-4-13(11(3)14(15)16-5-2)12-9-7-6-8-10-12/h6-11,13H,4-5H2,1-3H3/i11D,13D