hexyl 6-methyl-5-(2-methylidenebutanoyl)-2,3-dihydro-1-benzofuran-2-carboxylate

Systemtic Name: hexyl 6-methyl-5-(2-methylidenebutanoyl)-2,3-dihydro-1-benzofuran-2-carboxylate Openeye Name: hexyl 6-methyl-5-(2-methylenebutanoyl)-2,3-dihydrobenzofuran-2-carboxylate CAS Name: 6-methyl-5-(2-methylene-1-oxobutyl)-2,3-dihydrobenzofuran-2-carboxylic acid hexyl ester IUPAC Name: hexyl 6-methyl-5-(2-methylidenebutanoyl)-2,3-dihydro-1-benzofuran-2-carboxylate Traditional Name: 5-(2-ethylacryloyl)-6-methyl-coumaran-2-carboxylic acid hexyl ester Formula: C21H28O4 MolecularWeight: 344.44462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1CC2=C(O1)C=C(C(=C2)C(=O)C(=C)CC)C

Isomeric SMILES

CCCCCCOC(=O)C1CC2=C(O1)C=C(C(=C2)C(=O)C(=C)CC)C

InChI

InChI=1S/C21H28O4/c1-5-7-8-9-10-24-21(23)19-13-16-12-17(20(22)14(3)6-2)15(4)11-18(16)25-19/h11-12,19H,3,5-10,13H2,1-2,4H3