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

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

Systemtic Name:2-[4-[4-(5-octylpyrimidin-2-yl)phenyl]phenyl]heptanoic acid
Openeye Name:2-[4-[4-(5-octylpyrimidin-2-yl)phenyl]phenyl]heptanoic acid
CAS Name:2-[4-[4-(5-octyl-2-pyrimidinyl)phenyl]phenyl]heptanoic acid
IUPAC Name:2-[4-[4-(5-octylpyrimidin-2-yl)phenyl]phenyl]heptanoic acid
Traditional Name:2-[4-[4-(5-octylpyrimidin-2-yl)phenyl]phenyl]enanthic acid
Formula: C31H40N2O2
MolecularWeight: 472.6615
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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(CCCCC)C(=O)O


Isomeric SMILES

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


InChI

InChI=1S/C31H40N2O2/c1-3-5-7-8-9-11-12-24-22-32-30(33-23-24)28-20-16-26(17-21-28)25-14-18-27(19-15-25)29(31(34)35)13-10-6-4-2/h14-23,29H,3-13H2,1-2H3,(H,34,35)


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