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

Systemtic Name: 7-[2,3-dimethoxy-6-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenoxy]heptanoic acid Openeye Name: 7-[6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenoxy]heptanoic acid CAS Name: 7-[2,3-dimethoxy-6-[[4-(phenylmethyl)-1-piperazinyl]methyl]phenoxy]heptanoic acid IUPAC Name: 7-[6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dimethoxyphenoxy]heptanoic acid Traditional Name: 7-[6-[(4-benzylpiperazino)methyl]-2,3-dimethoxy-phenoxy]enanthic acid Formula: C27H38N2O5 MolecularWeight: 470.60102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38N2O5/c1-32-24-14-13-23(26(27(24)33-2)34-19-9-4-3-8-12-25(30)31)21-29-17-15-28(16-18-29)20-22-10-6-5-7-11-22/h5-7,10-11,13-14H,3-4,8-9,12,15-21H2,1-2H3,(H,30,31)