[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 3-acetamidoadamantane-1-carboxylate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 3-acetamidoadamantane-1-carboxylate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C26H37NO4 MolecularWeight: 427.57628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C45CC6CC(C4)CC(C6)(C5)NC(=O)C

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C45CC6CC(C4)CC(C6)(C5)NC(=O)C

InChI

InChI=1S/C26H37NO4/c1-15(22(29)24-7-17-3-18(8-24)5-19(4-17)9-24)31-23(30)25-10-20-6-21(11-25)13-26(12-20,14-25)27-16(2)28/h15,17-21H,3-14H2,1-2H3,(H,27,28)