[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] adamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] adamantane-1-carboxylate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C22H28O3 MolecularWeight: 340.45592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28O3/c1-13-4-15(3)19(5-14(13)2)20(23)12-25-21(24)22-9-16-6-17(10-22)8-18(7-16)11-22/h4-5,16-18H,6-12H2,1-3H3