[2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethyl] 3-bromanyladamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethyl] 3-bromanyladamantane-1-carboxylate Openeye Name: [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-1-adamantanecarboxylic acid [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 3-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid [2-keto-2-(3,4,5-trimethoxyphenyl)ethyl] ester Formula: C22H27BrO6 MolecularWeight: 467.35018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Br

InChI

InChI=1S/C22H27BrO6/c1-26-17-5-15(6-18(27-2)19(17)28-3)16(24)11-29-20(25)21-7-13-4-14(8-21)10-22(23,9-13)12-21/h5-6,13-14H,4,7-12H2,1-3H3