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

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 3-(3,4-dimethoxyphenyl)propanoate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-(3,4-dimethoxyphenyl)propanoic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)propionic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C24H32O5 MolecularWeight: 400.50788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C24H32O5/c1-15(23(26)24-12-17-8-18(13-24)10-19(9-17)14-24)29-22(25)7-5-16-4-6-20(27-2)21(11-16)28-3/h4,6,11,15,17-19H,5,7-10,12-14H2,1-3H3