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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CC(COC2=C(C=C(C=C2)OC)C(C)(C)C)O)C3=CC=CC=C3OCCC(=O)O

Isomeric SMILES

CC1CN(CCN1CC(COC2=C(C=C(C=C2)OC)C(C)(C)C)O)C3=CC=CC=C3OCCC(=O)O

InChI

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