[5-(1-adamantylcarbonylcarbamoyl)-1H-imidazol-4-yl] adamantane-1-carboxylate

Systemtic Name: [5-(1-adamantylcarbonylcarbamoyl)-1H-imidazol-4-yl] adamantane-1-carboxylate Openeye Name: [5-(adamantane-1-carbonylcarbamoyl)-1H-imidazol-4-yl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [5-[[[1-adamantyl(oxo)methyl]amino]-oxomethyl]-1H-imidazol-4-yl] ester IUPAC Name: [5-(adamantane-1-carbonylcarbamoyl)-1H-imidazol-4-yl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [5-(adamantane-1-carbonylcarbamoyl)-1H-imidazol-4-yl] ester Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC(=O)C4=C(N=CN4)OC(=O)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC(=O)C4=C(N=CN4)OC(=O)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C26H33N3O4/c30-21(29-23(31)25-7-14-1-15(8-25)3-16(2-14)9-25)20-22(28-13-27-20)33-24(32)26-10-17-4-18(11-26)6-19(5-17)12-26/h13-19H,1-12H2,(H,27,28)(H,29,30,31)