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

Systemtic Name: 4-[1-(2-methoxybutyl)-2-adamantyl]bicyclo[2.2.1]hept-2-ene-5-carboxylate Openeye Name: 4-[1-(2-methoxybutyl)-2-adamantyl]bicyclo[2.2.1]hept-2-ene-5-carboxylate CAS Name: 4-[1-(2-methoxybutyl)-2-adamantyl]-5-bicyclo[2.2.1]hept-2-enecarboxylate IUPAC Name: 4-[1-(2-methoxybutyl)-2-adamantyl]bicyclo[2.2.1]hept-2-ene-5-carboxylate Traditional Name: 4-[1-(2-methoxybutyl)-2-adamantyl]bicyclo[2.2.1]hept-2-ene-5-carboxylate Formula: C23H33O3- MolecularWeight: 357.50632

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC12CC3CC(C1)CC(C3)C2C45CC(CC4C(=O)[O-])C=C5)OC

Isomeric SMILES

CCC(CC12CC3CC(C1)CC(C3)C2C45CC(CC4C(=O)[O-])C=C5)OC

InChI

InChI=1S/C23H34O3/c1-3-18(26-2)13-22-10-15-6-16(11-22)8-17(7-15)20(22)23-5-4-14(12-23)9-19(23)21(24)25/h4-5,14-20H,3,6-13H2,1-2H3,(H,24,25)/p-1