4-[[4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]methyl]benzoic acid Openeye Name: 4-[[4-[(4-benzyloxyphenyl)methyl]piperazin-1-yl]methyl]benzoic acid CAS Name: 4-[[4-[(4-phenylmethoxyphenyl)methyl]-1-piperazinyl]methyl]benzoic acid IUPAC Name: 4-[[4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]methyl]benzoic acid Traditional Name: 4-[[4-(4-benzoxybenzyl)piperazino]methyl]benzoic acid Formula: C26H28N2O3 MolecularWeight: 416.51212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C(=O)O)CC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C(=O)O)CC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H28N2O3/c29-26(30)24-10-6-21(7-11-24)18-27-14-16-28(17-15-27)19-22-8-12-25(13-9-22)31-20-23-4-2-1-3-5-23/h1-13H,14-20H2,(H,29,30)