propan-2-yl 3-deuterio-2-phenyl-heptanoate

Systemtic Name: propan-2-yl 3-deuterio-2-phenyl-heptanoate Openeye Name: isopropyl 3-deuterio-2-phenyl-heptanoate CAS Name: 3-deuterio-2-phenylheptanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-deuterio-2-phenylheptanoate Traditional Name: 3-deuterio-2-phenyl-enanthic acid isopropyl ester Formula: C16H24O2 MolecularWeight: 249.366722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC=CC=C1)C(=O)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H24O2/c1-4-5-7-12-15(16(17)18-13(2)3)14-10-8-6-9-11-14/h6,8-11,13,15H,4-5,7,12H2,1-3H3/i12D