[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-phenyl-propanoyl] 4-methylpentaneperoxoate

Systemtic Name: [2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-phenyl-propanoyl] 4-methylpentaneperoxoate Openeye Name: [2-benzyl-3-(tert-butoxycarbonylamino)propanoyl] 4-methylpentaneperoxoate CAS Name: 4-methylpentaneperoxoic acid [2-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-1-oxo-3-phenylpropyl] ester IUPAC Name: [2-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl] 4-methylpentaneperoxoate Traditional Name: 4-methylperoxyvaleric acid [2-benzyl-3-(tert-butoxycarbonylamino)propanoyl] ester Formula: C21H31NO6 MolecularWeight: 393.47394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)OOC(=O)C(CC1=CC=CC=C1)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CCC(=O)OOC(=O)C(CC1=CC=CC=C1)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C21H31NO6/c1-15(2)11-12-18(23)27-28-19(24)17(13-16-9-7-6-8-10-16)14-22-20(25)26-21(3,4)5/h6-10,15,17H,11-14H2,1-5H3,(H,22,25)