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

Systemtic Name: 3-[3-butoxy-4-[2-[heptylcarbamoyl(methyl)amino]pyrimidin-4-yl]phenyl]propanoic acid Openeye Name: 3-[3-butoxy-4-[2-[heptylcarbamoyl(methyl)amino]pyrimidin-4-yl]phenyl]propanoic acid CAS Name: 3-[3-butoxy-4-[2-[[(heptylamino)-oxomethyl]-methylamino]-4-pyrimidinyl]phenyl]propanoic acid IUPAC Name: 3-[3-butoxy-4-[2-[heptylcarbamoyl(methyl)amino]pyrimidin-4-yl]phenyl]propanoic acid Traditional Name: 3-[3-butoxy-4-[2-[heptylcarbamoyl(methyl)amino]pyrimidin-4-yl]phenyl]propionic acid Formula: C26H38N4O4 MolecularWeight: 470.60432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38N4O4/c1-4-6-8-9-10-16-28-26(33)30(3)25-27-17-15-22(29-25)21-13-11-20(12-14-24(31)32)19-23(21)34-18-7-5-2/h11,13,15,17,19H,4-10,12,14,16,18H2,1-3H3,(H,28,33)(H,31,32)