2-[4-[4-(5-heptylpyrimidin-2-yl)phenyl]phenyl]propanoic acid

Systemtic Name: 2-[4-[4-(5-heptylpyrimidin-2-yl)phenyl]phenyl]propanoic acid Openeye Name: 2-[4-[4-(5-heptylpyrimidin-2-yl)phenyl]phenyl]propanoic acid CAS Name: 2-[4-[4-(5-heptyl-2-pyrimidinyl)phenyl]phenyl]propanoic acid IUPAC Name: 2-[4-[4-(5-heptylpyrimidin-2-yl)phenyl]phenyl]propanoic acid Traditional Name: 2-[4-[4-(5-heptylpyrimidin-2-yl)phenyl]phenyl]propionic acid Formula: C26H30N2O2 MolecularWeight: 402.5286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(C)C(=O)O

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(C)C(=O)O

InChI

InChI=1S/C26H30N2O2/c1-3-4-5-6-7-8-20-17-27-25(28-18-20)24-15-13-23(14-16-24)22-11-9-21(10-12-22)19(2)26(29)30/h9-19H,3-8H2,1-2H3,(H,29,30)