[2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: [2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [2-(benzofuran-2-yl)-2-oxo-ethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [2-(2-benzofuranyl)-2-oxoethyl] ester IUPAC Name: [2-(1-benzofuran-2-yl)-2-oxoethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid [2-(benzofuran-2-yl)-2-keto-ethyl] ester Formula: C21H22O5 MolecularWeight: 354.39638

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)C(=O)OCC(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C21H22O5/c22-16(18-6-15-3-1-2-4-17(15)26-18)11-25-19(23)20-7-13-5-14(8-20)10-21(24,9-13)12-20/h1-4,6,13-14,24H,5,7-12H2/t13-,14+,20?,21?