ethyl 3-[[(5S,7R)-3-oxidanyl-1-adamantyl]carbonyloxymethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[(5S,7R)-3-oxidanyl-1-adamantyl]carbonyloxymethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[(5S,7R)-3-hydroxyadamantane-1-carbonyl]oxymethyl]benzofuran-2-carboxylate CAS Name: 3-[[[(5S,7R)-3-hydroxy-1-adamantyl]-oxomethoxy]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[(5S,7R)-3-hydroxyadamantane-1-carbonyl]oxymethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(5S,7R)-3-hydroxyadamantane-1-carbonyl]oxymethyl]coumarilic acid ethyl ester Formula: C23H26O6 MolecularWeight: 398.44894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)C34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O

InChI

InChI=1S/C23H26O6/c1-2-27-20(24)19-17(16-5-3-4-6-18(16)29-19)12-28-21(25)22-8-14-7-15(9-22)11-23(26,10-14)13-22/h3-6,14-15,26H,2,7-13H2,1H3/t14-,15+,22?,23?