cyclopentyl 3-[4-methyl-3-(phenylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenyl-propaneperoxoate

Systemtic Name: cyclopentyl 3-[4-methyl-3-(phenylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenyl-propaneperoxoate Openeye Name: cyclopentyl 3-(3-benzyl-4-methyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-phenyl-propaneperoxoate CAS Name: 3-[4-methyl-3-(phenylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylpropaneperoxoic acid cyclopentyl ester IUPAC Name: cyclopentyl 3-(3-benzyl-4-methyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-phenylpropaneperoxoate Traditional Name: 3-(3-benzyl-4-methyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-phenyl-peroxypropionic acid cyclopentyl ester Formula: C27H33NO3 MolecularWeight: 419.55582

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C2CC(C3=CC=CC=C3)C(=O)OOC4CCCC4)CN1CC5=CC=CC=C5

Isomeric SMILES

CC1C2C(C2CC(C3=CC=CC=C3)C(=O)OOC4CCCC4)CN1CC5=CC=CC=C5

InChI

InChI=1S/C27H33NO3/c1-19-26-24(25(26)18-28(19)17-20-10-4-2-5-11-20)16-23(21-12-6-3-7-13-21)27(29)31-30-22-14-8-9-15-22/h2-7,10-13,19,22-26H,8-9,14-18H2,1H3