(3S,6S)-6-[(4-hydroxyphenyl)methyl]-1-methyl-3-[(4-phenylmethoxyphenyl)methyl]piperazin-2-one

Systemtic Name: (3S,6S)-6-[(4-hydroxyphenyl)methyl]-1-methyl-3-[(4-phenylmethoxyphenyl)methyl]piperazin-2-one Openeye Name: (3S,6S)-3-[(4-benzyloxyphenyl)methyl]-6-[(4-hydroxyphenyl)methyl]-1-methyl-piperazin-2-one CAS Name: (3S,6S)-6-[(4-hydroxyphenyl)methyl]-1-methyl-3-[(4-phenylmethoxyphenyl)methyl]-2-piperazinone IUPAC Name: (3S,6S)-6-[(4-hydroxyphenyl)methyl]-1-methyl-3-[(4-phenylmethoxyphenyl)methyl]piperazin-2-one Traditional Name: (3S,6S)-3-(4-benzoxybenzyl)-6-(4-hydroxybenzyl)-1-methyl-piperazin-2-one Formula: C26H28N2O3 MolecularWeight: 416.51212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(CNC(C1=O)CC2=CC=C(C=C2)OCC3=CC=CC=C3)CC4=CC=C(C=C4)O

Isomeric SMILES

CN1[C@H](CN[C@H](C1=O)CC2=CC=C(C=C2)OCC3=CC=CC=C3)CC4=CC=C(C=C4)O

InChI

InChI=1S/C26H28N2O3/c1-28-22(15-19-7-11-23(29)12-8-19)17-27-25(26(28)30)16-20-9-13-24(14-10-20)31-18-21-5-3-2-4-6-21/h2-14,22,25,27,29H,15-18H2,1H3/t22-,25-/m0/s1