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

Systemtic Name: ethyl 3-[[(5S,7R)-3-acetamido-1-adamantyl]carbonyloxymethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[(5S,7R)-3-acetamidoadamantane-1-carbonyl]oxymethyl]benzofuran-2-carboxylate CAS Name: 3-[[[(5S,7R)-3-acetamido-1-adamantyl]-oxomethoxy]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[(5S,7R)-3-acetamidoadamantane-1-carbonyl]oxymethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(5S,7R)-3-acetamidoadamantane-1-carbonyl]oxymethyl]coumarilic acid ethyl ester Formula: C25H29NO6 MolecularWeight: 439.50086

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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)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO6/c1-3-30-22(28)21-19(18-6-4-5-7-20(18)32-21)13-31-23(29)24-9-16-8-17(10-24)12-25(11-16,14-24)26-15(2)27/h4-7,16-17H,3,8-14H2,1-2H3,(H,26,27)/t16-,17+,24?,25?