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

Systemtic Name: (3-methoxycarbonylphenyl)methyl (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: (3-methoxycarbonylphenyl)methyl (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid (3-methoxycarbonylphenyl)methyl ester IUPAC Name: (3-methoxycarbonylphenyl)methyl (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid (3-carbomethoxybenzyl) ester Formula: C20H23BrO4 MolecularWeight: 407.29822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrO4/c1-24-17(22)16-4-2-3-13(6-16)11-25-18(23)19-7-14-5-15(8-19)10-20(21,9-14)12-19/h2-4,6,14-15H,5,7-12H2,1H3/t14-,15+,19?,20?