O3-[4-(4-ethanoylphenyl)-2-methyl-but-3-yn-2-yl] O1-ethyl propanedioate

Systemtic Name: O3-[4-(4-ethanoylphenyl)-2-methyl-but-3-yn-2-yl] O1-ethyl propanedioate Openeye Name: O3-[3-(4-acetylphenyl)-1,1-dimethyl-prop-2-ynyl] O1-ethyl propanedioate CAS Name: propanedioic acid O3-[4-(4-acetylphenyl)-2-methylbut-3-yn-2-yl] ester O1-ethyl ester IUPAC Name: 3-O-[4-(4-acetylphenyl)-2-methylbut-3-yn-2-yl] 1-O-ethyl propanedioate Traditional Name: malonic acid O3-[3-(4-acetylphenyl)-1,1-dimethyl-prop-2-ynyl] ester O1-ethyl ester Formula: C18H20O5 MolecularWeight: 316.3484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)OC(C)(C)C#CC1=CC=C(C=C1)C(=O)C

Isomeric SMILES

CCOC(=O)CC(=O)OC(C)(C)C#CC1=CC=C(C=C1)C(=O)C

InChI

InChI=1S/C18H20O5/c1-5-22-16(20)12-17(21)23-18(3,4)11-10-14-6-8-15(9-7-14)13(2)19/h6-9H,5,12H2,1-4H3