2-ethoxy-3-[4-[2-[2-methylpropylcarbamoyl(octyl)amino]ethoxy]phenyl]propanoic acid

Systemtic Name: 2-ethoxy-3-[4-[2-[2-methylpropylcarbamoyl(octyl)amino]ethoxy]phenyl]propanoic acid Openeye Name: 2-ethoxy-3-[4-[2-[isobutylcarbamoyl(octyl)amino]ethoxy]phenyl]propanoic acid CAS Name: 2-ethoxy-3-[4-[2-[[(2-methylpropylamino)-oxomethyl]-octylamino]ethoxy]phenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[4-[2-[2-methylpropylcarbamoyl(octyl)amino]ethoxy]phenyl]propanoic acid Traditional Name: 2-ethoxy-3-[4-[2-[isobutylcarbamoyl(octyl)amino]ethoxy]phenyl]propionic acid Formula: C26H44N2O5 MolecularWeight: 464.63796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCOC1=CC=C(C=C1)CC(C(=O)O)OCC)C(=O)NCC(C)C

Isomeric SMILES

CCCCCCCCN(CCOC1=CC=C(C=C1)CC(C(=O)O)OCC)C(=O)NCC(C)C

InChI

InChI=1S/C26H44N2O5/c1-5-7-8-9-10-11-16-28(26(31)27-20-21(3)4)17-18-33-23-14-12-22(13-15-23)19-24(25(29)30)32-6-2/h12-15,21,24H,5-11,16-20H2,1-4H3,(H,27,31)(H,29,30)