[(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] adamantane-1-carboxylate

Systemtic Name: [(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] adamantane-1-carboxylate Openeye Name: [(1S)-2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [(1S)-2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C22H28O3 MolecularWeight: 340.45592

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H28O3/c1-3-15-4-6-19(7-5-15)20(23)14(2)25-21(24)22-11-16-8-17(12-22)10-18(9-16)13-22/h4-7,14,16-18H,3,8-13H2,1-2H3/t14-,16?,17?,18?,22?/m0/s1