1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-[4-(hydroxymethyl)-2,6-dimethoxy-phenoxy]ethanone

Systemtic Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-[4-(hydroxymethyl)-2,6-dimethoxy-phenoxy]ethanone Openeye Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-[4-(hydroxymethyl)-2,6-dimethoxy-phenoxy]ethanone CAS Name: 1-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]ethanone IUPAC Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]ethanone Traditional Name: 1-[4-(4-chlorobenzyl)piperazino]-2-(2,6-dimethoxy-4-methylol-phenoxy)ethanone Formula: C22H27ClN2O5 MolecularWeight: 434.91318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl)OC)CO

Isomeric SMILES

COC1=CC(=CC(=C1OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl)OC)CO

InChI

InChI=1S/C22H27ClN2O5/c1-28-19-11-17(14-26)12-20(29-2)22(19)30-15-21(27)25-9-7-24(8-10-25)13-16-3-5-18(23)6-4-16/h3-6,11-12,26H,7-10,13-15H2,1-2H3