diethyl 2-(5-methyl-1-oxidanylidene-1-phenyl-hexan-3-yl)propanedioate

Systemtic Name: diethyl 2-(5-methyl-1-oxidanylidene-1-phenyl-hexan-3-yl)propanedioate Openeye Name: diethyl 2-(3-methyl-1-phenacyl-butyl)propanedioate CAS Name: 2-(5-methyl-1-oxo-1-phenylhexan-3-yl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(5-methyl-1-oxo-1-phenylhexan-3-yl)propanedioate Traditional Name: 2-(3-methyl-1-phenacyl-butyl)malonic acid diethyl ester Formula: C20H28O5 MolecularWeight: 348.43332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28O5/c1-5-24-19(22)18(20(23)25-6-2)16(12-14(3)4)13-17(21)15-10-8-7-9-11-15/h7-11,14,16,18H,5-6,12-13H2,1-4H3