(2,6-dimethoxyphenyl) (5S,7R)-3-bromanyladamantane-1-carboxylate

Systemtic Name: (2,6-dimethoxyphenyl) (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: (2,6-dimethoxyphenyl) (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid (2,6-dimethoxyphenyl) ester IUPAC Name: (2,6-dimethoxyphenyl) (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid (2,6-dimethoxyphenyl) ester Formula: C19H23BrO4 MolecularWeight: 395.28752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23BrO4/c1-22-14-4-3-5-15(23-2)16(14)24-17(21)18-7-12-6-13(8-18)10-19(20,9-12)11-18/h3-5,12-13H,6-11H2,1-2H3/t12-,13+,18?,19?