[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate CAS Name: 3-(3,4,5-trimethoxyphenyl)propanoic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate Traditional Name: 3-(3,4,5-trimethoxyphenyl)propionic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C25H34O6 MolecularWeight: 430.53386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34O6/c1-15(24(27)25-12-17-7-18(13-25)9-19(8-17)14-25)31-22(26)6-5-16-10-20(28-2)23(30-4)21(11-16)29-3/h10-11,15,17-19H,5-9,12-14H2,1-4H3