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

Systemtic Name: 2-[4-[4-(5-octylpyrimidin-2-yl)phenyl]phenyl]propanoic acid Openeye Name: 2-[4-[4-(5-octylpyrimidin-2-yl)phenyl]phenyl]propanoic acid CAS Name: 2-[4-[4-(5-octyl-2-pyrimidinyl)phenyl]phenyl]propanoic acid IUPAC Name: 2-[4-[4-(5-octylpyrimidin-2-yl)phenyl]phenyl]propanoic acid Traditional Name: 2-[4-[4-(5-octylpyrimidin-2-yl)phenyl]phenyl]propionic acid Formula: C27H32N2O2 MolecularWeight: 416.55518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(C)C(=O)O

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(C)C(=O)O

InChI

InChI=1S/C27H32N2O2/c1-3-4-5-6-7-8-9-21-18-28-26(29-19-21)25-16-14-24(15-17-25)23-12-10-22(11-13-23)20(2)27(30)31/h10-20H,3-9H2,1-2H3,(H,30,31)