3-[(2-propan-2-yl-2-adamantyl)oxycarbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Systemtic Name: 3-[(2-propan-2-yl-2-adamantyl)oxycarbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid Openeye Name: 3-[(2-isopropyl-2-adamantyl)oxycarbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid CAS Name: 3-[oxo-[(2-propan-2-yl-2-adamantyl)oxy]methyl]-2-bicyclo[2.2.1]hept-5-enecarboxylic acid IUPAC Name: 3-[(2-propan-2-yl-2-adamantyl)oxycarbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid Traditional Name: 3-[(2-isopropyl-2-adamantyl)oxycarbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid Formula: C22H30O4 MolecularWeight: 358.4712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C2CC3CC(C2)CC1C3)OC(=O)C4C5CC(C4C(=O)O)C=C5

Isomeric SMILES

CC(C)C1(C2CC3CC(C2)CC1C3)OC(=O)C4C5CC(C4C(=O)O)C=C5

InChI

InChI=1S/C22H30O4/c1-11(2)22(16-6-12-5-13(8-16)9-17(22)7-12)26-21(25)19-15-4-3-14(10-15)18(19)20(23)24/h3-4,11-19H,5-10H2,1-2H3,(H,23,24)