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3-[4-(5-octyl-2-pyrimidin-2-yl-phenyl)phenyl]propanoate

3-[4-(5-octyl-2-pyrimidin-2-yl-phenyl)phenyl]propanoate

Systemtic Name:3-[4-(5-octyl-2-pyrimidin-2-yl-phenyl)phenyl]propanoate
Openeye Name:3-[4-(5-octyl-2-pyrimidin-2-yl-phenyl)phenyl]propanoate
CAS Name:3-[4-[5-octyl-2-(2-pyrimidinyl)phenyl]phenyl]propanoate
IUPAC Name:3-[4-(5-octyl-2-pyrimidin-2-ylphenyl)phenyl]propanoate
Traditional Name:3-[4-[5-octyl-2-(2-pyrimidyl)phenyl]phenyl]propionate
Formula: C27H31N2O2-
MolecularWeight: 415.54724
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)C2=NC=CC=N2)C3=CC=C(C=C3)CCC(=O)[O-]


Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)C2=NC=CC=N2)C3=CC=C(C=C3)CCC(=O)[O-]


InChI

InChI=1S/C27H32N2O2/c1-2-3-4-5-6-7-9-22-12-16-24(27-28-18-8-19-29-27)25(20-22)23-14-10-21(11-15-23)13-17-26(30)31/h8,10-12,14-16,18-20H,2-7,9,13,17H2,1H3,(H,30,31)/p-1


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