(phenylmethyl) 4-[[[(2-methylpropan-2-yl)oxycarbonylamino]carbamoylamino]methyl]cyclohexane-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[[[(2-methylpropan-2-yl)oxycarbonylamino]carbamoylamino]methyl]cyclohexane-1-carboxylate Openeye Name: benzyl 4-[[(tert-butoxycarbonylamino)carbamoylamino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[[[(2-methylpropan-2-yl)oxy-oxomethyl]hydrazo]-oxomethyl]amino]methyl]-1-cyclohexanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[[(2-methylpropan-2-yl)oxycarbonylamino]carbamoylamino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[(tert-butoxycarbonylamino)carbamoylamino]methyl]cyclohexanecarboxylic acid benzyl ester Formula: C21H31N3O5 MolecularWeight: 405.48794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NNC(=O)NCC1CCC(CC1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NNC(=O)NCC1CCC(CC1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H31N3O5/c1-21(2,3)29-20(27)24-23-19(26)22-13-15-9-11-17(12-10-15)18(25)28-14-16-7-5-4-6-8-16/h4-8,15,17H,9-14H2,1-3H3,(H,24,27)(H2,22,23,26)