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6-[4-(5-octyl-2-pyrimidin-2-yl-phenyl)phenyl]hexanoate

6-[4-(5-octyl-2-pyrimidin-2-yl-phenyl)phenyl]hexanoate

Systemtic Name:6-[4-(5-octyl-2-pyrimidin-2-yl-phenyl)phenyl]hexanoate
Openeye Name:6-[4-(5-octyl-2-pyrimidin-2-yl-phenyl)phenyl]hexanoate
CAS Name:6-[4-[5-octyl-2-(2-pyrimidinyl)phenyl]phenyl]hexanoate
IUPAC Name:6-[4-(5-octyl-2-pyrimidin-2-ylphenyl)phenyl]hexanoate
Traditional Name:6-[4-[5-octyl-2-(2-pyrimidyl)phenyl]phenyl]hexanoate
Formula: C30H37N2O2-
MolecularWeight: 457.62698
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C30H38N2O2/c1-2-3-4-5-6-8-13-25-17-20-27(30-31-21-11-22-32-30)28(23-25)26-18-15-24(16-19-26)12-9-7-10-14-29(33)34/h11,15-23H,2-10,12-14H2,1H3,(H,33,34)/p-1


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