ethyl 3-[2-(3-oxidanyl-1-adamantyl)ethanoyloxymethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[2-(3-oxidanyl-1-adamantyl)ethanoyloxymethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[2-(3-hydroxy-1-adamantyl)acetyl]oxymethyl]benzofuran-2-carboxylate CAS Name: 3-[[2-(3-hydroxy-1-adamantyl)-1-oxoethoxy]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(3-hydroxy-1-adamantyl)acetyl]oxymethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[2-(3-hydroxy-1-adamantyl)acetyl]oxymethyl]coumarilic acid ethyl ester Formula: C24H28O6 MolecularWeight: 412.47552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)CC34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)CC34CC5CC(C3)CC(C5)(C4)O

InChI

InChI=1S/C24H28O6/c1-2-28-22(26)21-18(17-5-3-4-6-19(17)30-21)13-29-20(25)12-23-8-15-7-16(9-23)11-24(27,10-15)14-23/h3-6,15-16,27H,2,7-14H2,1H3