2-ethoxy-3-[6-[6-[heptylcarbamoyl(methyl)amino]pyridin-2-yl]pyridin-3-yl]propanoic acid

Systemtic Name: 2-ethoxy-3-[6-[6-[heptylcarbamoyl(methyl)amino]pyridin-2-yl]pyridin-3-yl]propanoic acid Openeye Name: 2-ethoxy-3-[6-[6-[heptylcarbamoyl(methyl)amino]-2-pyridyl]-3-pyridyl]propanoic acid CAS Name: 2-ethoxy-3-[6-[6-[[(heptylamino)-oxomethyl]-methylamino]-2-pyridinyl]-3-pyridinyl]propanoic acid IUPAC Name: 2-ethoxy-3-[6-[6-[heptylcarbamoyl(methyl)amino]pyridin-2-yl]pyridin-3-yl]propanoic acid Traditional Name: 2-ethoxy-3-[6-[6-[heptylcarbamoyl(methyl)amino]-2-pyridyl]-3-pyridyl]propionic acid Formula: C24H34N4O4 MolecularWeight: 442.55116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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