[4-chloranyl-2-[[(3R)-3-methyl-4-(2-phenylethanoyl)piperazin-1-yl]methyl]phenyl] ethaneperoxoate

Systemtic Name: [4-chloranyl-2-[[(3R)-3-methyl-4-(2-phenylethanoyl)piperazin-1-yl]methyl]phenyl] ethaneperoxoate Openeye Name: [4-chloro-2-[[(3R)-3-methyl-4-(2-phenylacetyl)piperazin-1-yl]methyl]phenyl] peroxyacetate CAS Name: ethaneperoxoic acid [4-chloro-2-[[(3R)-3-methyl-4-(1-oxo-2-phenylethyl)-1-piperazinyl]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[(3R)-3-methyl-4-(2-phenylacetyl)piperazin-1-yl]methyl]phenyl] ethaneperoxoate Traditional Name: peracetic acid [4-chloro-2-[[(3R)-3-methyl-4-(2-phenylacetyl)piperazino]methyl]phenyl] ester Formula: C22H25ClN2O4 MolecularWeight: 416.8979

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CC2=CC=CC=C2)CC3=C(C=CC(=C3)Cl)OOC(=O)C

Isomeric SMILES

C[C@@H]1CN(CCN1C(=O)CC2=CC=CC=C2)CC3=C(C=CC(=C3)Cl)OOC(=O)C

InChI

InChI=1S/C22H25ClN2O4/c1-16-14-24(10-11-25(16)22(27)12-18-6-4-3-5-7-18)15-19-13-20(23)8-9-21(19)29-28-17(2)26/h3-9,13,16H,10-12,14-15H2,1-2H3/t16-/m1/s1