[2-oxidanylidene-2-(2,3,4,6-tetramethylphenyl)ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,3,4,6-tetramethylphenyl)ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid [2-keto-2-(2,3,4,6-tetramethylphenyl)ethyl] ester Formula: C23H30O4 MolecularWeight: 370.4819

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)O)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)O)C)C)C

InChI

InChI=1S/C23H30O4/c1-13-5-14(2)20(16(4)15(13)3)19(24)11-27-21(25)22-7-17-6-18(8-22)10-23(26,9-17)12-22/h5,17-18,26H,6-12H2,1-4H3/t17-,18+,22?,23?