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

Systemtic Name: [(1R)-2-oxidanylidene-1,2-diphenyl-ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [(1R)-2-oxo-1,2-diphenyl-ethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [(1R)-2-oxo-1,2-diphenylethyl] ester IUPAC Name: [(1R)-2-oxo-1,2-diphenylethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid [(1R)-2-keto-1,2-diphenyl-ethyl] ester Formula: C25H26O4 MolecularWeight: 390.47154

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OC(C4=CC=CC=C4)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)C(=O)O[C@H](C4=CC=CC=C4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H26O4/c26-21(19-7-3-1-4-8-19)22(20-9-5-2-6-10-20)29-23(27)24-12-17-11-18(13-24)15-25(28,14-17)16-24/h1-10,17-18,22,28H,11-16H2/t17-,18+,22-,24?,25?/m1/s1