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

Systemtic Name: 3-[4-[6-[heptylcarbamoyl(methyl)amino]pyridin-2-yl]phenyl]propanoic acid Openeye Name: 3-[4-[6-[heptylcarbamoyl(methyl)amino]-2-pyridyl]phenyl]propanoic acid CAS Name: 3-[4-[6-[[(heptylamino)-oxomethyl]-methylamino]-2-pyridinyl]phenyl]propanoic acid IUPAC Name: 3-[4-[6-[heptylcarbamoyl(methyl)amino]pyridin-2-yl]phenyl]propanoic acid Traditional Name: 3-[4-[6-[heptylcarbamoyl(methyl)amino]-2-pyridyl]phenyl]propionic acid Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3/c1-3-4-5-6-7-17-24-23(29)26(2)21-10-8-9-20(25-21)19-14-11-18(12-15-19)13-16-22(27)28/h8-12,14-15H,3-7,13,16-17H2,1-2H3,(H,24,29)(H,27,28)