[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-bromanyladamantane-1-carboxylate

Systemtic Name: [2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-bromanyladamantane-1-carboxylate Openeye Name: [2-(2,5-dimethoxyphenyl)-2-oxo-ethyl] 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-1-adamantanecarboxylic acid [2-(2,5-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid [2-(2,5-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C21H25BrO5 MolecularWeight: 437.3242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Br

InChI

InChI=1S/C21H25BrO5/c1-25-15-3-4-18(26-2)16(6-15)17(23)11-27-19(24)20-7-13-5-14(8-20)10-21(22,9-13)12-20/h3-4,6,13-14H,5,7-12H2,1-2H3