(3-bromanyl-4-methoxy-phenyl)methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: (3-bromanyl-4-methoxy-phenyl)methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: (3-bromo-4-methoxy-phenyl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid (3-bromo-4-methoxyphenyl)methyl ester IUPAC Name: (3-bromo-4-methoxyphenyl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid (3-bromo-4-methoxy-benzyl) ester Formula: C19H23BrO4 MolecularWeight: 395.28752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23BrO4/c1-23-16-3-2-12(5-15(16)20)10-24-17(21)18-6-13-4-14(7-18)9-19(22,8-13)11-18/h2-3,5,13-14,22H,4,6-11H2,1H3/t13-,14+,18?,19?