[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl] 3-acetamidoadamantane-1-carboxylate

Systemtic Name: [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl] 3-acetamidoadamantane-1-carboxylate Openeye Name: [2-[(3-tert-butylisoxazol-5-yl)amino]-2-oxo-ethyl] 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid [2-[(3-tert-butyl-5-isoxazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid [2-[(3-tert-butylisoxazol-5-yl)amino]-2-keto-ethyl] ester Formula: C22H31N3O5 MolecularWeight: 417.49864

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC(=O)NC4=CC(=NO4)C(C)(C)C

Isomeric SMILES

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC(=O)NC4=CC(=NO4)C(C)(C)C

InChI

InChI=1S/C22H31N3O5/c1-13(26)24-22-9-14-5-15(10-22)8-21(7-14,12-22)19(28)29-11-17(27)23-18-6-16(25-30-18)20(2,3)4/h6,14-15H,5,7-12H2,1-4H3,(H,23,27)(H,24,26)