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4-[4-(5-octyl-2-pyrimidin-2-yl-phenyl)phenyl]butanoic acid

4-[4-(5-octyl-2-pyrimidin-2-yl-phenyl)phenyl]butanoic acid

Systemtic Name:4-[4-(5-octyl-2-pyrimidin-2-yl-phenyl)phenyl]butanoic acid
Openeye Name:4-[4-(5-octyl-2-pyrimidin-2-yl-phenyl)phenyl]butanoic acid
CAS Name:4-[4-[5-octyl-2-(2-pyrimidinyl)phenyl]phenyl]butanoic acid
IUPAC Name:4-[4-(5-octyl-2-pyrimidin-2-ylphenyl)phenyl]butanoic acid
Traditional Name:4-[4-[5-octyl-2-(2-pyrimidyl)phenyl]phenyl]butyric acid
Formula: C28H34N2O2
MolecularWeight: 430.58176
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)C2=NC=CC=N2)C3=CC=C(C=C3)CCCC(=O)O


Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)C2=NC=CC=N2)C3=CC=C(C=C3)CCCC(=O)O


InChI

InChI=1S/C28H34N2O2/c1-2-3-4-5-6-7-10-23-15-18-25(28-29-19-9-20-30-28)26(21-23)24-16-13-22(14-17-24)11-8-12-27(31)32/h9,13-21H,2-8,10-12H2,1H3,(H,31,32)


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