[2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 3-bromanyladamantane-1-carboxylate

Systemtic Name: [2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 3-bromanyladamantane-1-carboxylate Openeye Name: [2-(benzofuran-2-yl)-2-oxo-ethyl] 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-1-adamantanecarboxylic acid [2-(2-benzofuranyl)-2-oxoethyl] ester IUPAC Name: [2-(1-benzofuran-2-yl)-2-oxoethyl] 3-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid [2-(benzofuran-2-yl)-2-keto-ethyl] ester Formula: C21H21BrO4 MolecularWeight: 417.29304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrO4/c22-21-9-13-5-14(10-21)8-20(7-13,12-21)19(24)25-11-16(23)18-6-15-3-1-2-4-17(15)26-18/h1-4,6,13-14H,5,7-12H2