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

Systemtic Name: [(1R)-1-(1-benzofuran-2-yl)ethyl] (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: [(1R)-1-(benzofuran-2-yl)ethyl] (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid [(1R)-1-(2-benzofuranyl)ethyl] ester IUPAC Name: [(1R)-1-(1-benzofuran-2-yl)ethyl] (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid [(1R)-1-(benzofuran-2-yl)ethyl] ester Formula: C21H23BrO3 MolecularWeight: 403.30952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2O1)OC(=O)C34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

C[C@H](C1=CC2=CC=CC=C2O1)OC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Br

InChI

InChI=1S/C21H23BrO3/c1-13(18-7-16-4-2-3-5-17(16)25-18)24-19(23)20-8-14-6-15(9-20)11-21(22,10-14)12-20/h2-5,7,13-15H,6,8-12H2,1H3/t13-,14-,15+,20?,21?/m1/s1