2-ethoxy-3-[2-[4-[heptylcarbamoyl(methyl)amino]phenyl]pyrimidin-5-yl]propanoic acid

Systemtic Name: 2-ethoxy-3-[2-[4-[heptylcarbamoyl(methyl)amino]phenyl]pyrimidin-5-yl]propanoic acid Openeye Name: 2-ethoxy-3-[2-[4-[heptylcarbamoyl(methyl)amino]phenyl]pyrimidin-5-yl]propanoic acid CAS Name: 2-ethoxy-3-[2-[4-[[(heptylamino)-oxomethyl]-methylamino]phenyl]-5-pyrimidinyl]propanoic acid IUPAC Name: 2-ethoxy-3-[2-[4-[heptylcarbamoyl(methyl)amino]phenyl]pyrimidin-5-yl]propanoic acid Traditional Name: 2-ethoxy-3-[2-[4-[heptylcarbamoyl(methyl)amino]phenyl]pyrimidin-5-yl]propionic acid Formula: C24H34N4O4 MolecularWeight: 442.55116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)N(C)C1=CC=C(C=C1)C2=NC=C(C=N2)CC(C(=O)O)OCC

Isomeric SMILES

CCCCCCCNC(=O)N(C)C1=CC=C(C=C1)C2=NC=C(C=N2)CC(C(=O)O)OCC

InChI

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