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

Systemtic Name: 2-[4-[4-(5-decylpyrimidin-2-yl)phenyl]phenyl]heptanoic acid Openeye Name: 2-[4-[4-(5-decylpyrimidin-2-yl)phenyl]phenyl]heptanoic acid CAS Name: 2-[4-[4-(5-decyl-2-pyrimidinyl)phenyl]phenyl]heptanoic acid IUPAC Name: 2-[4-[4-(5-decylpyrimidin-2-yl)phenyl]phenyl]heptanoic acid Traditional Name: 2-[4-[4-(5-decylpyrimidin-2-yl)phenyl]phenyl]enanthic acid Formula: C33H44N2O2 MolecularWeight: 500.71466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(CCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(CCCCC)C(=O)O

InChI

InChI=1S/C33H44N2O2/c1-3-5-7-8-9-10-11-13-14-26-24-34-32(35-25-26)30-22-18-28(19-23-30)27-16-20-29(21-17-27)31(33(36)37)15-12-6-4-2/h16-25,31H,3-15H2,1-2H3,(H,36,37)