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

Systemtic Name: 2-[2,3-dimethoxy-6-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenoxy]ethanoic acid Openeye Name: 2-[6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenoxy]acetic acid CAS Name: 2-[2,3-dimethoxy-6-[[4-(phenylmethyl)-1-piperazinyl]methyl]phenoxy]acetic acid IUPAC Name: 2-[6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dimethoxyphenoxy]acetic acid Traditional Name: 2-[6-[(4-benzylpiperazino)methyl]-2,3-dimethoxy-phenoxy]acetic acid Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5/c1-27-19-9-8-18(21(22(19)28-2)29-16-20(25)26)15-24-12-10-23(11-13-24)14-17-6-4-3-5-7-17/h3-9H,10-16H2,1-2H3,(H,25,26)