[2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 2-(3-bromanyl-1-adamantyl)ethanoate

Systemtic Name: [2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: [2-(benzofuran-2-yl)-2-oxo-ethyl] 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid [2-(2-benzofuranyl)-2-oxoethyl] ester IUPAC Name: [2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid [2-(benzofuran-2-yl)-2-keto-ethyl] ester Formula: C22H23BrO4 MolecularWeight: 431.31962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrO4/c23-22-9-14-5-15(10-22)8-21(7-14,13-22)11-20(25)26-12-17(24)19-6-16-3-1-2-4-18(16)27-19/h1-4,6,14-15H,5,7-13H2