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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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