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

Systemtic Name: [1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] adamantane-1-carboxylate Openeye Name: [1-methyl-2-oxo-2-(p-tolyl)ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylphenyl)-1-oxopropan-2-yl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C21H26O3 MolecularWeight: 326.42934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H26O3/c1-13-3-5-18(6-4-13)19(22)14(2)24-20(23)21-10-15-7-16(11-21)9-17(8-15)12-21/h3-6,14-17H,7-12H2,1-2H3