6-[2,3-dimethoxy-6-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenoxy]hexanoic acid

Systemtic Name: 6-[2,3-dimethoxy-6-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenoxy]hexanoic acid Openeye Name: 6-[6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenoxy]hexanoic acid CAS Name: 6-[2,3-dimethoxy-6-[[4-(phenylmethyl)-1-piperazinyl]methyl]phenoxy]hexanoic acid IUPAC Name: 6-[6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dimethoxyphenoxy]hexanoic acid Traditional Name: 6-[6-[(4-benzylpiperazino)methyl]-2,3-dimethoxy-phenoxy]hexanoic acid Formula: C26H36N2O5 MolecularWeight: 456.57444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2)CC3=CC=CC=C3)OCCCCCC(=O)O)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)CC3=CC=CC=C3)OCCCCCC(=O)O)OC

InChI

InChI=1S/C26H36N2O5/c1-31-23-13-12-22(25(26(23)32-2)33-18-8-4-7-11-24(29)30)20-28-16-14-27(15-17-28)19-21-9-5-3-6-10-21/h3,5-6,9-10,12-13H,4,7-8,11,14-20H2,1-2H3,(H,29,30)