O1-[2-cyano-1-(2,3-dimethyl-1-benzofuran-6-yl)ethyl] O3-ethyl 2-ethylpropanedioate

Systemtic Name: O1-[2-cyano-1-(2,3-dimethyl-1-benzofuran-6-yl)ethyl] O3-ethyl 2-ethylpropanedioate Openeye Name: O1-[2-cyano-1-(2,3-dimethylbenzofuran-6-yl)ethyl] O3-ethyl 2-ethylpropanedioate CAS Name: 2-ethylpropanedioic acid O1-[2-cyano-1-(2,3-dimethyl-6-benzofuranyl)ethyl] ester O3-ethyl ester IUPAC Name: 1-O-[2-cyano-1-(2,3-dimethyl-1-benzofuran-6-yl)ethyl] 3-O-ethyl 2-ethylpropanedioate Traditional Name: 2-ethylmalonic acid O1-[2-cyano-1-(2,3-dimethylbenzofuran-6-yl)ethyl] ester O3-ethyl ester Formula: C20H23NO5 MolecularWeight: 357.40032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)C(=O)OC(CC#N)C1=CC2=C(C=C1)C(=C(O2)C)C

Isomeric SMILES

CCC(C(=O)OCC)C(=O)OC(CC#N)C1=CC2=C(C=C1)C(=C(O2)C)C

InChI

InChI=1S/C20H23NO5/c1-5-15(19(22)24-6-2)20(23)26-17(9-10-21)14-7-8-16-12(3)13(4)25-18(16)11-14/h7-8,11,15,17H,5-6,9H2,1-4H3