7-[6-[(4-heptylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenoxy]heptanoic acid

Systemtic Name: 7-[6-[(4-heptylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenoxy]heptanoic acid Openeye Name: 7-[6-[(4-heptylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenoxy]heptanoic acid CAS Name: 7-[6-[(4-heptyl-1-piperazinyl)methyl]-2,3-dimethoxyphenoxy]heptanoic acid IUPAC Name: 7-[6-[(4-heptylpiperazin-1-yl)methyl]-2,3-dimethoxyphenoxy]heptanoic acid Traditional Name: 7-[6-[(4-heptylpiperazino)methyl]-2,3-dimethoxy-phenoxy]enanthic acid Formula: C27H46N2O5 MolecularWeight: 478.66454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1CCN(CC1)CC2=C(C(=C(C=C2)OC)OC)OCCCCCCC(=O)O

Isomeric SMILES

CCCCCCCN1CCN(CC1)CC2=C(C(=C(C=C2)OC)OC)OCCCCCCC(=O)O

InChI

InChI=1S/C27H46N2O5/c1-4-5-6-8-11-16-28-17-19-29(20-18-28)22-23-14-15-24(32-2)27(33-3)26(23)34-21-12-9-7-10-13-25(30)31/h14-15H,4-13,16-22H2,1-3H3,(H,30,31)