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

Systemtic Name: 3-[3-ethoxy-4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]propanoic acid Openeye Name: 3-[3-ethoxy-4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]propanoic acid CAS Name: 3-[3-ethoxy-4-[3-[[(heptylamino)-oxomethyl]-methylamino]phenyl]phenyl]propanoic acid IUPAC Name: 3-[3-ethoxy-4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]propanoic acid Traditional Name: 3-[3-ethoxy-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=C(C=C(C=C2)CCC(=O)O)OCC

Isomeric SMILES

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

InChI

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