[(1R)-2-oxidanylidenecyclohexyl] (5S,7R)-3-phenyladamantane-1-carboxylate

Systemtic Name: [(1R)-2-oxidanylidenecyclohexyl] (5S,7R)-3-phenyladamantane-1-carboxylate Openeye Name: [(1R)-2-oxocyclohexyl] (5S,7R)-3-phenyladamantane-1-carboxylate CAS Name: (5S,7R)-3-phenyl-1-adamantanecarboxylic acid [(1R)-2-oxocyclohexyl] ester IUPAC Name: [(1R)-2-oxocyclohexyl] (5S,7R)-3-phenyladamantane-1-carboxylate Traditional Name: (5S,7R)-3-phenyladamantane-1-carboxylic acid [(1R)-2-ketocyclohexyl] ester Formula: C23H28O3 MolecularWeight: 352.46662

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=CC=C5

Isomeric SMILES

C1CCC(=O)[C@@H](C1)OC(=O)C23C[C@@H]4C[C@H](C2)CC(C4)(C3)C5=CC=CC=C5

InChI

InChI=1S/C23H28O3/c24-19-8-4-5-9-20(19)26-21(25)23-13-16-10-17(14-23)12-22(11-16,15-23)18-6-2-1-3-7-18/h1-3,6-7,16-17,20H,4-5,8-15H2/t16-,17+,20-,22?,23?/m1/s1