(4,5-dimethoxy-2-methyl-phenyl)methyl (5S,7R)-3-bromanyladamantane-1-carboxylate

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: (4,5-dimethoxy-2-methyl-phenyl)methyl (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid (4,5-dimethoxy-2-methylphenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid (4,5-dimethoxy-2-methyl-benzyl) ester Formula: C21H27BrO4 MolecularWeight: 423.34068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1COC(=O)C23CC4CC(C2)CC(C4)(C3)Br)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br)OC)OC

InChI

InChI=1S/C21H27BrO4/c1-13-4-17(24-2)18(25-3)6-16(13)11-26-19(23)20-7-14-5-15(8-20)10-21(22,9-14)12-20/h4,6,14-15H,5,7-12H2,1-3H3/t14-,15+,20?,21?