3-[3-ethoxy-4-[6-[heptylcarbamoyl(methyl)amino]pyridin-2-yl]phenyl]propanoic acid

Systemtic Name: 3-[3-ethoxy-4-[6-[heptylcarbamoyl(methyl)amino]pyridin-2-yl]phenyl]propanoic acid Openeye Name: 3-[3-ethoxy-4-[6-[heptylcarbamoyl(methyl)amino]-2-pyridyl]phenyl]propanoic acid CAS Name: 3-[3-ethoxy-4-[6-[[(heptylamino)-oxomethyl]-methylamino]-2-pyridinyl]phenyl]propanoic acid IUPAC Name: 3-[3-ethoxy-4-[6-[heptylcarbamoyl(methyl)amino]pyridin-2-yl]phenyl]propanoic acid Traditional Name: 3-[3-ethoxy-4-[6-[heptylcarbamoyl(methyl)amino]-2-pyridyl]phenyl]propionic acid Formula: C25H35N3O4 MolecularWeight: 441.5631

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N3O4/c1-4-6-7-8-9-17-26-25(31)28(3)23-12-10-11-21(27-23)20-15-13-19(14-16-24(29)30)18-22(20)32-5-2/h10-13,15,18H,4-9,14,16-17H2,1-3H3,(H,26,31)(H,29,30)