2-(1-adamantyl)ethyl 2-[2-(2-bromanyl-1-oxidanyl-ethyl)-1-benzofuran-7-yl]ethanoate

Systemtic Name: 2-(1-adamantyl)ethyl 2-[2-(2-bromanyl-1-oxidanyl-ethyl)-1-benzofuran-7-yl]ethanoate Openeye Name: 2-(1-adamantyl)ethyl 2-[2-(2-bromo-1-hydroxy-ethyl)benzofuran-7-yl]acetate CAS Name: 2-[2-(2-bromo-1-hydroxyethyl)-7-benzofuranyl]acetic acid 2-(1-adamantyl)ethyl ester IUPAC Name: 2-(1-adamantyl)ethyl 2-[2-(2-bromo-1-hydroxyethyl)-1-benzofuran-7-yl]acetate Traditional Name: 2-[2-(2-bromo-1-hydroxy-ethyl)benzofuran-7-yl]acetic acid 2-(1-adamantyl)ethyl ester Formula: C24H29BrO4 MolecularWeight: 461.38866

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CCOC(=O)CC4=CC=CC5=C4OC(=C5)C(CBr)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CCOC(=O)CC4=CC=CC5=C4OC(=C5)C(CBr)O

InChI

InChI=1S/C24H29BrO4/c25-14-20(26)21-9-18-2-1-3-19(23(18)29-21)10-22(27)28-5-4-24-11-15-6-16(12-24)8-17(7-15)13-24/h1-3,9,15-17,20,26H,4-8,10-14H2