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

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

Systemtic Name:5-[4-(5-octyl-2-pyrimidin-2-yl-phenyl)phenyl]pentanoic acid
Openeye Name:5-[4-(5-octyl-2-pyrimidin-2-yl-phenyl)phenyl]pentanoic acid
CAS Name:5-[4-[5-octyl-2-(2-pyrimidinyl)phenyl]phenyl]pentanoic acid
IUPAC Name:5-[4-(5-octyl-2-pyrimidin-2-ylphenyl)phenyl]pentanoic acid
Traditional Name:5-[4-[5-octyl-2-(2-pyrimidyl)phenyl]phenyl]valeric acid
Formula: C29H36N2O2
MolecularWeight: 444.60834
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C29H36N2O2/c1-2-3-4-5-6-7-12-24-16-19-26(29-30-20-10-21-31-29)27(22-24)25-17-14-23(15-18-25)11-8-9-13-28(32)33/h10,14-22H,2-9,11-13H2,1H3,(H,32,33)


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