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

Systemtic Name: 3-[3-ethoxy-4-[6-[heptan-3-ylcarbamoyl(methyl)amino]pyridin-2-yl]phenyl]propanoic acid Openeye Name: 3-[3-ethoxy-4-[6-[1-ethylpentylcarbamoyl(methyl)amino]-2-pyridyl]phenyl]propanoic acid CAS Name: 3-[3-ethoxy-4-[6-[[(heptan-3-ylamino)-oxomethyl]-methylamino]-2-pyridinyl]phenyl]propanoic acid IUPAC Name: 3-[3-ethoxy-4-[6-[heptan-3-ylcarbamoyl(methyl)amino]pyridin-2-yl]phenyl]propanoic acid Traditional Name: 3-[3-ethoxy-4-[6-[1-ethylpentylcarbamoyl(methyl)amino]-2-pyridyl]phenyl]propionic acid Formula: C25H35N3O4 MolecularWeight: 441.5631

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N3O4/c1-5-8-10-19(6-2)26-25(31)28(4)23-12-9-11-21(27-23)20-15-13-18(14-16-24(29)30)17-22(20)32-7-3/h9,11-13,15,17,19H,5-8,10,14,16H2,1-4H3,(H,26,31)(H,29,30)