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4-[4-(5-octylpyrimidin-2-yl)phenoxy]butan-2-yl heptanoate

4-[4-(5-octylpyrimidin-2-yl)phenoxy]butan-2-yl heptanoate

Systemtic Name:4-[4-(5-octylpyrimidin-2-yl)phenoxy]butan-2-yl heptanoate
Openeye Name:[1-methyl-3-[4-(5-octylpyrimidin-2-yl)phenoxy]propyl] heptanoate
CAS Name:heptanoic acid 4-[4-(5-octyl-2-pyrimidinyl)phenoxy]butan-2-yl ester
IUPAC Name:4-[4-(5-octylpyrimidin-2-yl)phenoxy]butan-2-yl heptanoate
Traditional Name:enanthic acid [1-methyl-3-[4-(5-octylpyrimidin-2-yl)phenoxy]propyl] ester
Formula: C29H44N2O3
MolecularWeight: 468.67126
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C29H44N2O3/c1-4-6-8-10-11-12-14-25-22-30-29(31-23-25)26-16-18-27(19-17-26)33-21-20-24(3)34-28(32)15-13-9-7-5-2/h16-19,22-24H,4-15,20-21H2,1-3H3


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