(4-tert-butylphenyl)methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: (4-tert-butylphenyl)methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: (4-tert-butylphenyl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid (4-tert-butylbenzyl) ester Formula: C22H30O3 MolecularWeight: 342.4718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30O3/c1-20(2,3)18-6-4-15(5-7-18)13-25-19(23)21-9-16-8-17(10-21)12-22(24,11-16)14-21/h4-7,16-17,24H,8-14H2,1-3H3/t16-,17+,21?,22?