(5-ethanoyl-2-methoxy-phenyl)methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C21H26O5 MolecularWeight: 358.42814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26O5/c1-13(22)16-3-4-18(25-2)17(6-16)11-26-19(23)20-7-14-5-15(8-20)10-21(24,9-14)12-20/h3-4,6,14-15,24H,5,7-12H2,1-2H3/t14-,15+,20?,21?