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

Systemtic Name: 3-[4-[2-[heptylcarbamoyl(methyl)amino]pyrimidin-4-yl]phenyl]propanoic acid Openeye Name: 3-[4-[2-[heptylcarbamoyl(methyl)amino]pyrimidin-4-yl]phenyl]propanoic acid CAS Name: 3-[4-[2-[[(heptylamino)-oxomethyl]-methylamino]-4-pyrimidinyl]phenyl]propanoic acid IUPAC Name: 3-[4-[2-[heptylcarbamoyl(methyl)amino]pyrimidin-4-yl]phenyl]propanoic acid Traditional Name: 3-[4-[2-[heptylcarbamoyl(methyl)amino]pyrimidin-4-yl]phenyl]propionic acid Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O3/c1-3-4-5-6-7-15-24-22(29)26(2)21-23-16-14-19(25-21)18-11-8-17(9-12-18)10-13-20(27)28/h8-9,11-12,14,16H,3-7,10,13,15H2,1-2H3,(H,24,29)(H,27,28)