8-[2,3-dimethoxy-6-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenoxy]octanoic acid

Systemtic Name: 8-[2,3-dimethoxy-6-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenoxy]octanoic acid Openeye Name: 8-[6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenoxy]octanoic acid CAS Name: 8-[2,3-dimethoxy-6-[[4-(phenylmethyl)-1-piperazinyl]methyl]phenoxy]octanoic acid IUPAC Name: 8-[6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dimethoxyphenoxy]octanoic acid Traditional Name: 8-[6-[(4-benzylpiperazino)methyl]-2,3-dimethoxy-phenoxy]caprylic acid Formula: C28H40N2O5 MolecularWeight: 484.6276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40N2O5/c1-33-25-15-14-24(22-30-18-16-29(17-19-30)21-23-11-7-6-8-12-23)27(28(25)34-2)35-20-10-5-3-4-9-13-26(31)32/h6-8,11-12,14-15H,3-5,9-10,13,16-22H2,1-2H3,(H,31,32)