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3-[4-(5-decyl-2-pyrimidin-2-yl-phenyl)phenyl]propanoic acid

3-[4-(5-decyl-2-pyrimidin-2-yl-phenyl)phenyl]propanoic acid

Systemtic Name:3-[4-(5-decyl-2-pyrimidin-2-yl-phenyl)phenyl]propanoic acid
Openeye Name:3-[4-(5-decyl-2-pyrimidin-2-yl-phenyl)phenyl]propanoic acid
CAS Name:3-[4-[5-decyl-2-(2-pyrimidinyl)phenyl]phenyl]propanoic acid
IUPAC Name:3-[4-(5-decyl-2-pyrimidin-2-ylphenyl)phenyl]propanoic acid
Traditional Name:3-[4-[5-decyl-2-(2-pyrimidyl)phenyl]phenyl]propionic acid
Formula: C29H36N2O2
MolecularWeight: 444.60834
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC(=C(C=C1)C2=NC=CC=N2)C3=CC=C(C=C3)CCC(=O)O


Isomeric SMILES

CCCCCCCCCCC1=CC(=C(C=C1)C2=NC=CC=N2)C3=CC=C(C=C3)CCC(=O)O


InChI

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


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