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

Systemtic Name: (2,5-dimethylphenyl)methyl (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: (2,5-dimethylphenyl)methyl (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid (2,5-dimethylbenzyl) ester Formula: C20H25BrO2 MolecularWeight: 377.3153

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)COC(=O)C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C)COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C20H25BrO2/c1-13-3-4-14(2)17(5-13)11-23-18(22)19-7-15-6-16(8-19)10-20(21,9-15)12-19/h3-5,15-16H,6-12H2,1-2H3/t15-,16+,19?,20?