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

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

Systemtic Name:3-[4-(5-heptyl-2-pyrimidin-2-yl-phenyl)phenyl]propanoate
Openeye Name:3-[4-(5-heptyl-2-pyrimidin-2-yl-phenyl)phenyl]propanoate
CAS Name:3-[4-[5-heptyl-2-(2-pyrimidinyl)phenyl]phenyl]propanoate
IUPAC Name:3-[4-(5-heptyl-2-pyrimidin-2-ylphenyl)phenyl]propanoate
Traditional Name:3-[4-[5-heptyl-2-(2-pyrimidyl)phenyl]phenyl]propionate
Formula: C26H29N2O2-
MolecularWeight: 401.52066
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(C=C1)C2=NC=CC=N2)C3=CC=C(C=C3)CCC(=O)[O-]


Isomeric SMILES

CCCCCCCC1=CC(=C(C=C1)C2=NC=CC=N2)C3=CC=C(C=C3)CCC(=O)[O-]


InChI

InChI=1S/C26H30N2O2/c1-2-3-4-5-6-8-21-11-15-23(26-27-17-7-18-28-26)24(19-21)22-13-9-20(10-14-22)12-16-25(29)30/h7,9-11,13-15,17-19H,2-6,8,12,16H2,1H3,(H,29,30)/p-1


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