phenyl 2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-2,3-dimethoxy-heptaneperoxoate

Systemtic Name: phenyl 2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-2,3-dimethoxy-heptaneperoxoate Openeye Name: phenyl 2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-2,3-dimethoxy-heptaneperoxoate CAS Name: 2-[[4-[(4-chlorophenyl)methyl]-1-piperazinyl]methyl]-2,3-dimethoxyheptaneperoxoic acid phenyl ester IUPAC Name: phenyl 2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-2,3-dimethoxyheptaneperoxoate Traditional Name: 2-[[4-(4-chlorobenzyl)piperazino]methyl]-2,3-dimethoxy-peroxyenanthic acid phenyl ester Formula: C27H37ClN2O5 MolecularWeight: 505.04608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CN1CCN(CC1)CC2=CC=C(C=C2)Cl)(C(=O)OOC3=CC=CC=C3)OC)OC

Isomeric SMILES

CCCCC(C(CN1CCN(CC1)CC2=CC=C(C=C2)Cl)(C(=O)OOC3=CC=CC=C3)OC)OC

InChI

InChI=1S/C27H37ClN2O5/c1-4-5-11-25(32-2)27(33-3,26(31)35-34-24-9-7-6-8-10-24)21-30-18-16-29(17-19-30)20-22-12-14-23(28)15-13-22/h6-10,12-15,25H,4-5,11,16-21H2,1-3H3