2-(2,3-dimethoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-heptanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C)(C(=O)O)OC1=CC=CC(=C1OC)OC)N2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

CCCCC(C(C)(C(=O)O)OC1=CC=CC(=C1OC)OC)N2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C27H38N2O6/c1-6-7-15-24(29-18-16-28(17-19-29)20-11-8-9-12-21(20)32-3)27(2,26(30)31)35-23-14-10-13-22(33-4)25(23)34-5/h8-14,24H,6-7,15-19H2,1-5H3,(H,30,31)