[5-(5-acetyloxypentan-2-yl)-6-methyl-3-methylidene-2-oxidanylidene-3a,4,7,7a-tetrahydro-1-benzofuran-4-yl] 2-phenylethanoate

Systemtic Name: [5-(5-acetyloxypentan-2-yl)-6-methyl-3-methylidene-2-oxidanylidene-3a,4,7,7a-tetrahydro-1-benzofuran-4-yl] 2-phenylethanoate Openeye Name: [5-(4-acetoxy-1-methyl-butyl)-6-methyl-3-methylene-2-oxo-3a,4,7,7a-tetrahydrobenzofuran-4-yl] 2-phenylacetate CAS Name: 2-phenylacetic acid [5-(5-acetyloxypentan-2-yl)-6-methyl-3-methylene-2-oxo-3a,4,7,7a-tetrahydrobenzofuran-4-yl] ester IUPAC Name: [5-(5-acetyloxypentan-2-yl)-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-4-yl] 2-phenylacetate Traditional Name: 2-phenylacetic acid [5-(4-acetoxy-1-methyl-butyl)-2-keto-6-methyl-3-methylene-3a,4,7,7a-tetrahydrobenzofuran-4-yl] ester Formula: C25H30O6 MolecularWeight: 426.5021

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(C1)OC(=O)C2=C)OC(=O)CC3=CC=CC=C3)C(C)CCCOC(=O)C

Isomeric SMILES

CC1=C(C(C2C(C1)OC(=O)C2=C)OC(=O)CC3=CC=CC=C3)C(C)CCCOC(=O)C

InChI

InChI=1S/C25H30O6/c1-15(9-8-12-29-18(4)26)22-16(2)13-20-23(17(3)25(28)30-20)24(22)31-21(27)14-19-10-6-5-7-11-19/h5-7,10-11,15,20,23-24H,3,8-9,12-14H2,1-2,4H3