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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)N(C)C1=NC=CC(=N1)C2=CC=C(C=C2)CC(C(=O)O)OCC

Isomeric SMILES

CCCCCCCNC(=O)N(C)C1=NC=CC(=N1)C2=CC=C(C=C2)CC(C(=O)O)OCC

InChI

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