2-ethoxy-3-[5-[3-[heptylcarbamoyl(methyl)amino]phenyl]pyrimidin-2-yl]propanoic acid

Systemtic Name: 2-ethoxy-3-[5-[3-[heptylcarbamoyl(methyl)amino]phenyl]pyrimidin-2-yl]propanoic acid Openeye Name: 2-ethoxy-3-[5-[3-[heptylcarbamoyl(methyl)amino]phenyl]pyrimidin-2-yl]propanoic acid CAS Name: 2-ethoxy-3-[5-[3-[[(heptylamino)-oxomethyl]-methylamino]phenyl]-2-pyrimidinyl]propanoic acid IUPAC Name: 2-ethoxy-3-[5-[3-[heptylcarbamoyl(methyl)amino]phenyl]pyrimidin-2-yl]propanoic acid Traditional Name: 2-ethoxy-3-[5-[3-[heptylcarbamoyl(methyl)amino]phenyl]pyrimidin-2-yl]propionic acid Formula: C24H34N4O4 MolecularWeight: 442.55116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34N4O4/c1-4-6-7-8-9-13-25-24(31)28(3)20-12-10-11-18(14-20)19-16-26-22(27-17-19)15-21(23(29)30)32-5-2/h10-12,14,16-17,21H,4-9,13,15H2,1-3H3,(H,25,31)(H,29,30)