2-(4-octoxyphenoxy)-1-[4-(phenylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-octoxyphenoxy)-1-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(4-octoxyphenoxy)ethanone CAS Name: 2-(4-octoxyphenoxy)-1-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(4-octoxyphenoxy)ethanone Traditional Name: 1-(4-benzylpiperazino)-2-(4-octoxyphenoxy)ethanone Formula: C27H38N2O3 MolecularWeight: 438.60222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C27H38N2O3/c1-2-3-4-5-6-10-21-31-25-13-15-26(16-14-25)32-23-27(30)29-19-17-28(18-20-29)22-24-11-8-7-9-12-24/h7-9,11-16H,2-6,10,17-23H2,1H3