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

Systemtic Name: 7-[2,3-dimethoxy-6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]heptanoic acid Openeye Name: 7-[2,3-dimethoxy-6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]heptanoic acid CAS Name: 7-[2,3-dimethoxy-6-[[4-(2-methoxyphenyl)-1-piperazinyl]methyl]phenoxy]heptanoic acid IUPAC Name: 7-[2,3-dimethoxy-6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]heptanoic acid Traditional Name: 7-[2,3-dimethoxy-6-[[4-(2-methoxyphenyl)piperazino]methyl]phenoxy]enanthic acid Formula: C27H38N2O6 MolecularWeight: 486.60042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2)C3=CC=CC=C3OC)OCCCCCCC(=O)O)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)C3=CC=CC=C3OC)OCCCCCCC(=O)O)OC

InChI

InChI=1S/C27H38N2O6/c1-32-23-11-8-7-10-22(23)29-17-15-28(16-18-29)20-21-13-14-24(33-2)27(34-3)26(21)35-19-9-5-4-6-12-25(30)31/h7-8,10-11,13-14H,4-6,9,12,15-20H2,1-3H3,(H,30,31)