2-[1-(1-adamantyl)propylcarbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid

Systemtic Name: 2-[1-(1-adamantyl)propylcarbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Openeye Name: 2-[1-(1-adamantyl)propylcarbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid CAS Name: 2-[[1-(1-adamantyl)propylamino]-oxomethyl]-3-bicyclo[2.2.1]hept-5-enecarboxylic acid IUPAC Name: 2-[1-(1-adamantyl)propylcarbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Traditional Name: 2-[1-(1-adamantyl)propylcarbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Formula: C22H31NO3 MolecularWeight: 357.48644

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4C5CC(C4C(=O)O)C=C5

Isomeric SMILES

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4C5CC(C4C(=O)O)C=C5

InChI

InChI=1S/C22H31NO3/c1-2-17(22-9-12-5-13(10-22)7-14(6-12)11-22)23-20(24)18-15-3-4-16(8-15)19(18)21(25)26/h3-4,12-19H,2,5-11H2,1H3,(H,23,24)(H,25,26)