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

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C22H28O5 MolecularWeight: 372.45472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)O

InChI

InChI=1S/C22H28O5/c1-3-26-19-5-4-17(14(2)23)7-18(19)12-27-20(24)21-8-15-6-16(9-21)11-22(25,10-15)13-21/h4-5,7,15-16,25H,3,6,8-13H2,1-2H3/t15-,16+,21?,22?