2-ethoxy-3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]propanoic acid

Systemtic Name: 2-ethoxy-3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]propanoic acid Openeye Name: 2-ethoxy-3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]propanoic acid CAS Name: 2-ethoxy-3-[4-[3-[[(heptylamino)-oxomethyl]-methylamino]phenyl]phenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]propanoic acid Traditional Name: 2-ethoxy-3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]propionic acid Formula: C26H36N2O4 MolecularWeight: 440.57504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)N(C)C1=CC=CC(=C1)C2=CC=C(C=C2)CC(C(=O)O)OCC

Isomeric SMILES

CCCCCCCNC(=O)N(C)C1=CC=CC(=C1)C2=CC=C(C=C2)CC(C(=O)O)OCC

InChI

InChI=1S/C26H36N2O4/c1-4-6-7-8-9-17-27-26(31)28(3)23-12-10-11-22(19-23)21-15-13-20(14-16-21)18-24(25(29)30)32-5-2/h10-16,19,24H,4-9,17-18H2,1-3H3,(H,27,31)(H,29,30)