[2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl] (5S,7R)-3-bromanyladamantane-1-carboxylate

Systemtic Name: [2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl] (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: (2-indan-5-yl-2-oxo-ethyl) (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid (2-indan-5-yl-2-keto-ethyl) ester Formula: C22H25BrO3 MolecularWeight: 417.3361

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)C(=O)COC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Br

InChI

InChI=1S/C22H25BrO3/c23-22-10-14-6-15(11-22)9-21(8-14,13-22)20(25)26-12-19(24)18-5-4-16-2-1-3-17(16)7-18/h4-5,7,14-15H,1-3,6,8-13H2/t14-,15+,21?,22?