(2,5-dimethoxyphenyl)methyl (5S,7R)-3-bromanyladamantane-1-carboxylate

Systemtic Name: (2,5-dimethoxyphenyl)methyl (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: (2,5-dimethoxyphenyl)methyl (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid (2,5-dimethoxyphenyl)methyl ester IUPAC Name: (2,5-dimethoxyphenyl)methyl (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid (2,5-dimethoxybenzyl) ester Formula: C20H25BrO4 MolecularWeight: 409.3141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC(=C(C=C1)OC)COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C20H25BrO4/c1-23-16-3-4-17(24-2)15(6-16)11-25-18(22)19-7-13-5-14(8-19)10-20(21,9-13)12-19/h3-4,6,13-14H,5,7-12H2,1-2H3/t13-,14+,19?,20?