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[4-(5-octylpyrimidin-2-yl)phenyl] 4-(2-methylbutyl)benzoate

[4-(5-octylpyrimidin-2-yl)phenyl] 4-(2-methylbutyl)benzoate

Systemtic Name:[4-(5-octylpyrimidin-2-yl)phenyl] 4-(2-methylbutyl)benzoate
Openeye Name:[4-(5-octylpyrimidin-2-yl)phenyl] 4-(2-methylbutyl)benzoate
CAS Name:4-(2-methylbutyl)benzoic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester
IUPAC Name:[4-(5-octylpyrimidin-2-yl)phenyl] 4-(2-methylbutyl)benzoate
Traditional Name:4-(2-methylbutyl)benzoic acid [4-(5-octylpyrimidin-2-yl)phenyl] ester
Formula: C30H38N2O2
MolecularWeight: 458.63492
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)CC(C)CC


Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)CC(C)CC


InChI

InChI=1S/C30H38N2O2/c1-4-6-7-8-9-10-11-25-21-31-29(32-22-25)26-16-18-28(19-17-26)34-30(33)27-14-12-24(13-15-27)20-23(3)5-2/h12-19,21-23H,4-11,20H2,1-3H3


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