11-[2,3-dimethoxy-6-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenoxy]undecanoic acid

Systemtic Name: 11-[2,3-dimethoxy-6-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenoxy]undecanoic acid Openeye Name: 11-[6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenoxy]undecanoic acid CAS Name: 11-[2,3-dimethoxy-6-[[4-(phenylmethyl)-1-piperazinyl]methyl]phenoxy]undecanoic acid IUPAC Name: 11-[6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dimethoxyphenoxy]undecanoic acid Traditional Name: 11-[6-[(4-benzylpiperazino)methyl]-2,3-dimethoxy-phenoxy]undecanoic acid Formula: C31H46N2O5 MolecularWeight: 526.70734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H46N2O5/c1-36-28-18-17-27(25-33-21-19-32(20-22-33)24-26-14-10-9-11-15-26)30(31(28)37-2)38-23-13-8-6-4-3-5-7-12-16-29(34)35/h9-11,14-15,17-18H,3-8,12-13,16,19-25H2,1-2H3,(H,34,35)