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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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