4-[2-(1-adamantyl)propan-2-yl]bicyclo[2.2.1]hept-2-ene-5-carboxylate

Systemtic Name: 4-[2-(1-adamantyl)propan-2-yl]bicyclo[2.2.1]hept-2-ene-5-carboxylate Openeye Name: 4-[1-(1-adamantyl)-1-methyl-ethyl]bicyclo[2.2.1]hept-2-ene-5-carboxylate CAS Name: 4-[2-(1-adamantyl)propan-2-yl]-5-bicyclo[2.2.1]hept-2-enecarboxylate IUPAC Name: 4-[2-(1-adamantyl)propan-2-yl]bicyclo[2.2.1]hept-2-ene-5-carboxylate Traditional Name: 4-[1-(1-adamantyl)-1-methyl-ethyl]bicyclo[2.2.1]hept-2-ene-5-carboxylate Formula: C21H29O2- MolecularWeight: 313.45376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C12CC3CC(C1)CC(C3)C2)C45CC(CC4C(=O)[O-])C=C5

Isomeric SMILES

CC(C)(C12CC3CC(C1)CC(C3)C2)C45CC(CC4C(=O)[O-])C=C5

InChI

InChI=1S/C21H30O2/c1-19(2,21-4-3-13(12-21)8-17(21)18(22)23)20-9-14-5-15(10-20)7-16(6-14)11-20/h3-4,13-17H,5-12H2,1-2H3,(H,22,23)/p-1