2-(2,3-dimethoxyphenoxy)-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]heptanoic acid

Systemtic Name: 2-(2,3-dimethoxyphenoxy)-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]heptanoic acid Openeye Name: 2-[(4-benzylpiperazin-1-yl)methyl]-2-(2,3-dimethoxyphenoxy)heptanoic acid CAS Name: 2-(2,3-dimethoxyphenoxy)-2-[[4-(phenylmethyl)-1-piperazinyl]methyl]heptanoic acid IUPAC Name: 2-[(4-benzylpiperazin-1-yl)methyl]-2-(2,3-dimethoxyphenoxy)heptanoic acid Traditional Name: 2-[(4-benzylpiperazino)methyl]-2-(2,3-dimethoxyphenoxy)enanthic acid Formula: C27H38N2O5 MolecularWeight: 470.60102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CN1CCN(CC1)CC2=CC=CC=C2)(C(=O)O)OC3=CC=CC(=C3OC)OC

Isomeric SMILES

CCCCCC(CN1CCN(CC1)CC2=CC=CC=C2)(C(=O)O)OC3=CC=CC(=C3OC)OC

InChI

InChI=1S/C27H38N2O5/c1-4-5-9-15-27(26(30)31,34-24-14-10-13-23(32-2)25(24)33-3)21-29-18-16-28(17-19-29)20-22-11-7-6-8-12-22/h6-8,10-14H,4-5,9,15-21H2,1-3H3,(H,30,31)