5-[1-adamantyl(methyl)carbamoyl]bicyclo[2.2.2]oct-2-ene-5-carboxylic acid

Systemtic Name: 5-[1-adamantyl(methyl)carbamoyl]bicyclo[2.2.2]oct-2-ene-5-carboxylic acid Openeye Name: 5-[1-adamantyl(methyl)carbamoyl]bicyclo[2.2.2]oct-2-ene-5-carboxylic acid CAS Name: 5-[[1-adamantyl(methyl)amino]-oxomethyl]-5-bicyclo[2.2.2]oct-2-enecarboxylic acid IUPAC Name: 5-[1-adamantyl(methyl)carbamoyl]bicyclo[2.2.2]oct-2-ene-5-carboxylic acid Traditional Name: 5-[1-adamantyl(methyl)carbamoyl]bicyclo[2.2.2]oct-2-ene-5-carboxylic acid Formula: C21H29NO3 MolecularWeight: 343.45986

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C1(CC2CCC1C=C2)C(=O)O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN(C(=O)C1(CC2CCC1C=C2)C(=O)O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H29NO3/c1-22(20-9-14-6-15(10-20)8-16(7-14)11-20)18(23)21(19(24)25)12-13-2-4-17(21)5-3-13/h2,4,13-17H,3,5-12H2,1H3,(H,24,25)