3-[2-[4-[3-(2-tert-butyl-4-methoxy-phenyl)-2-oxidanyl-propyl]-3-methyl-piperazin-1-yl]oxyphenoxy]propanoic acid

Systemtic Name: 3-[2-[4-[3-(2-tert-butyl-4-methoxy-phenyl)-2-oxidanyl-propyl]-3-methyl-piperazin-1-yl]oxyphenoxy]propanoic acid Openeye Name: 3-[2-[4-[3-(2-tert-butyl-4-methoxy-phenyl)-2-hydroxy-propyl]-3-methyl-piperazin-1-yl]oxyphenoxy]propanoic acid CAS Name: 3-[2-[[4-[3-(2-tert-butyl-4-methoxyphenyl)-2-hydroxypropyl]-3-methyl-1-piperazinyl]oxy]phenoxy]propanoic acid IUPAC Name: 3-[2-[4-[3-(2-tert-butyl-4-methoxyphenyl)-2-hydroxypropyl]-3-methylpiperazin-1-yl]oxyphenoxy]propanoic acid Traditional Name: 3-[2-[4-[3-(2-tert-butyl-4-methoxy-phenyl)-2-hydroxy-propyl]-3-methyl-piperazino]oxyphenoxy]propionic acid Formula: C28H40N2O6 MolecularWeight: 500.627

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CC(CC2=C(C=C(C=C2)OC)C(C)(C)C)O)OC3=CC=CC=C3OCCC(=O)O

Isomeric SMILES

CC1CN(CCN1CC(CC2=C(C=C(C=C2)OC)C(C)(C)C)O)OC3=CC=CC=C3OCCC(=O)O

InChI

InChI=1S/C28H40N2O6/c1-20-18-30(36-26-9-7-6-8-25(26)35-15-12-27(32)33)14-13-29(20)19-22(31)16-21-10-11-23(34-5)17-24(21)28(2,3)4/h6-11,17,20,22,31H,12-16,18-19H2,1-5H3,(H,32,33)