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

Systemtic Name: (4-methoxycarbonylphenyl)methyl (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: (4-methoxycarbonylphenyl)methyl (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid (4-methoxycarbonylphenyl)methyl ester IUPAC Name: (4-methoxycarbonylphenyl)methyl (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid (4-carbomethoxybenzyl) ester Formula: C20H23BrO4 MolecularWeight: 407.29822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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