[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 2-(3,4-dimethoxyphenyl)ethanoate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 2-(3,4-dimethoxyphenyl)ethanoate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 2-(3,4-dimethoxyphenyl)acetate CAS Name: 2-(3,4-dimethoxyphenyl)acetic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate Traditional Name: 2-(3,4-dimethoxyphenyl)acetic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C23H30O5 MolecularWeight: 386.4813

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C23H30O5/c1-14(22(25)23-11-16-6-17(12-23)8-18(7-16)13-23)28-21(24)10-15-4-5-19(26-2)20(9-15)27-3/h4-5,9,14,16-18H,6-8,10-13H2,1-3H3