tert-butyl 3-[(3-azanyl-1-adamantyl)carbonylamino]adamantane-1-carboxylate

Systemtic Name: tert-butyl 3-[(3-azanyl-1-adamantyl)carbonylamino]adamantane-1-carboxylate Openeye Name: tert-butyl 3-[(3-aminoadamantane-1-carbonyl)amino]adamantane-1-carboxylate CAS Name: 3-[[(3-amino-1-adamantyl)-oxomethyl]amino]-1-adamantanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(3-aminoadamantane-1-carbonyl)amino]adamantane-1-carboxylate Traditional Name: 3-[(3-aminoadamantane-1-carbonyl)amino]adamantane-1-carboxylic acid tert-butyl ester Formula: C26H40N2O3 MolecularWeight: 428.6074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C12CC3CC(C1)CC(C3)(C2)NC(=O)C45CC6CC(C4)CC(C6)(C5)N

Isomeric SMILES

CC(C)(C)OC(=O)C12CC3CC(C1)CC(C3)(C2)NC(=O)C45CC6CC(C4)CC(C6)(C5)N

InChI

InChI=1S/C26H40N2O3/c1-22(2,3)31-21(30)24-8-18-5-19(9-24)13-26(12-18,15-24)28-20(29)23-6-16-4-17(7-23)11-25(27,10-16)14-23/h16-19H,4-15,27H2,1-3H3,(H,28,29)