[(4-methylphenyl)-phenyl-methyl] 8-piperidin-1-yloctaneperoxoate

Systemtic Name: [(4-methylphenyl)-phenyl-methyl] 8-piperidin-1-yloctaneperoxoate Openeye Name: [phenyl(p-tolyl)methyl] 8-(1-piperidyl)octaneperoxoate CAS Name: 8-(1-piperidinyl)octaneperoxoic acid [(4-methylphenyl)-phenylmethyl] ester IUPAC Name: [(4-methylphenyl)-phenylmethyl] 8-piperidin-1-yloctaneperoxoate Traditional Name: 8-piperidinoperoxycaprylic acid [phenyl(p-tolyl)methyl] ester Formula: C27H37NO3 MolecularWeight: 423.58758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2)OOC(=O)CCCCCCCN3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CC=C2)OOC(=O)CCCCCCCN3CCCCC3

InChI

InChI=1S/C27H37NO3/c1-23-16-18-25(19-17-23)27(24-13-7-5-8-14-24)31-30-26(29)15-9-3-2-4-10-20-28-21-11-6-12-22-28/h5,7-8,13-14,16-19,27H,2-4,6,9-12,15,20-22H2,1H3