O3-tert-butyl O1-ethyl 2-(2-ethylphenyl)carbonyl-2-prop-2-enyl-propanedioate

Systemtic Name: O3-tert-butyl O1-ethyl 2-(2-ethylphenyl)carbonyl-2-prop-2-enyl-propanedioate Openeye Name: O1-tert-butyl O3-ethyl 2-allyl-2-(2-ethylbenzoyl)propanedioate CAS Name: 2-[(2-ethylphenyl)-oxomethyl]-2-prop-2-enylpropanedioic acid O3-tert-butyl ester O1-ethyl ester IUPAC Name: 3-O-tert-butyl 1-O-ethyl 2-(2-ethylbenzoyl)-2-prop-2-enylpropanedioate Traditional Name: 2-allyl-2-(2-ethylbenzoyl)malonic acid O1-tert-butyl ester O3-ethyl ester Formula: C21H28O5 MolecularWeight: 360.44402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C(=O)C(CC=C)(C(=O)OCC)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=CC=CC=C1C(=O)C(CC=C)(C(=O)OCC)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H28O5/c1-7-14-21(18(23)25-9-3,19(24)26-20(4,5)6)17(22)16-13-11-10-12-15(16)8-2/h7,10-13H,1,8-9,14H2,2-6H3