[2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [2-(4-isopropylphenyl)-2-oxo-ethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [2-oxo-2-(4-propan-2-ylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-ylphenyl)ethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid (2-keto-2-p-cumenyl-ethyl) ester Formula: C22H28O4 MolecularWeight: 356.45532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28O4/c1-14(2)17-3-5-18(6-4-17)19(23)12-26-20(24)21-8-15-7-16(9-21)11-22(25,10-15)13-21/h3-6,14-16,25H,7-13H2,1-2H3/t15-,16+,21?,22?