2-[4-[4-(5-pentylpyrimidin-2-yl)phenyl]phenyl]heptanoic acid

Systemtic Name: 2-[4-[4-(5-pentylpyrimidin-2-yl)phenyl]phenyl]heptanoic acid Openeye Name: 2-[4-[4-(5-pentylpyrimidin-2-yl)phenyl]phenyl]heptanoic acid CAS Name: 2-[4-[4-(5-pentyl-2-pyrimidinyl)phenyl]phenyl]heptanoic acid IUPAC Name: 2-[4-[4-(5-pentylpyrimidin-2-yl)phenyl]phenyl]heptanoic acid Traditional Name: 2-[4-[4-(5-amylpyrimidin-2-yl)phenyl]phenyl]enanthic acid Formula: C28H34N2O2 MolecularWeight: 430.58176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(CCCCC)C(=O)O

Isomeric SMILES

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(CCCCC)C(=O)O

InChI

InChI=1S/C28H34N2O2/c1-3-5-7-9-21-19-29-27(30-20-21)25-17-13-23(14-18-25)22-11-15-24(16-12-22)26(28(31)32)10-8-6-4-2/h11-20,26H,3-10H2,1-2H3,(H,31,32)