[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 4-(4-methylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 4-(4-methylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 4-oxo-4-(p-tolyl)butanoate CAS Name: 4-(4-methylphenyl)-4-oxobutanoic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 4-(4-methylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-(p-tolyl)butyric acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C24H30O4 MolecularWeight: 382.4926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30O4/c1-15-3-5-20(6-4-15)21(25)7-8-22(26)28-16(2)23(27)24-12-17-9-18(13-24)11-19(10-17)14-24/h3-6,16-19H,7-14H2,1-2H3