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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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