methyl 2,3-bis(1-adamantyloxy)bicyclo[2.2.1]hept-5-ene-4-carboxylate

Systemtic Name: methyl 2,3-bis(1-adamantyloxy)bicyclo[2.2.1]hept-5-ene-4-carboxylate Openeye Name: methyl 2,3-bis(1-adamantyloxy)bicyclo[2.2.1]hept-5-ene-4-carboxylate CAS Name: 2,3-bis(1-adamantyloxy)-4-bicyclo[2.2.1]hept-5-enecarboxylic acid methyl ester IUPAC Name: methyl 2,3-bis(1-adamantyloxy)bicyclo[2.2.1]hept-5-ene-4-carboxylate Traditional Name: 2,3-bis(1-adamantyloxy)bicyclo[2.2.1]hept-5-ene-4-carboxylic acid methyl ester Formula: C29H40O4 MolecularWeight: 452.6255

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CC(C=C1)C(C2OC34CC5CC(C3)CC(C5)C4)OC67CC8CC(C6)CC(C8)C7

Isomeric SMILES

COC(=O)C12CC(C=C1)C(C2OC34CC5CC(C3)CC(C5)C4)OC67CC8CC(C6)CC(C8)C7

InChI

InChI=1S/C29H40O4/c1-31-26(30)29-3-2-23(16-29)24(32-27-10-17-4-18(11-27)6-19(5-17)12-27)25(29)33-28-13-20-7-21(14-28)9-22(8-20)15-28/h2-3,17-25H,4-16H2,1H3