tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(2-oxidanylidene-1-pyridin-3-yl-cyclohexyl)carbamate

Systemtic Name: tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(2-oxidanylidene-1-pyridin-3-yl-cyclohexyl)carbamate Openeye Name: tert-butyl N-(tert-butoxycarbonylamino)-N-[2-oxo-1-(3-pyridyl)cyclohexyl]carbamate CAS Name: N-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-N-[2-oxo-1-(3-pyridinyl)cyclohexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(2-oxo-1-pyridin-3-ylcyclohexyl)carbamate Traditional Name: N-(tert-butoxycarbonylamino)-N-[2-keto-1-(3-pyridyl)cyclohexyl]carbamic acid tert-butyl ester Formula: C21H31N3O5 MolecularWeight: 405.48794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NN(C(=O)OC(C)(C)C)C1(CCCCC1=O)C2=CN=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NN(C(=O)OC(C)(C)C)C1(CCCCC1=O)C2=CN=CC=C2

InChI

InChI=1S/C21H31N3O5/c1-19(2,3)28-17(26)23-24(18(27)29-20(4,5)6)21(12-8-7-11-16(21)25)15-10-9-13-22-14-15/h9-10,13-14H,7-8,11-12H2,1-6H3,(H,23,26)