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[4-(5-octoxypyrimidin-2-yl)phenyl] (6S)-6-methyloctanoate

[4-(5-octoxypyrimidin-2-yl)phenyl] (6S)-6-methyloctanoate

Systemtic Name:[4-(5-octoxypyrimidin-2-yl)phenyl] (6S)-6-methyloctanoate
Openeye Name:[4-(5-octoxypyrimidin-2-yl)phenyl] (6S)-6-methyloctanoate
CAS Name:(6S)-6-methyloctanoic acid [4-(5-octoxy-2-pyrimidinyl)phenyl] ester
IUPAC Name:[4-(5-octoxypyrimidin-2-yl)phenyl] (6S)-6-methyloctanoate
Traditional Name:(6S)-6-methylcaprylic acid [4-(5-octoxypyrimidin-2-yl)phenyl] ester
Formula: C27H40N2O3
MolecularWeight: 440.6181
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCCCC(C)CC


Isomeric SMILES

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCCC[C@@H](C)CC


InChI

InChI=1S/C27H40N2O3/c1-4-6-7-8-9-12-19-31-25-20-28-27(29-21-25)23-15-17-24(18-16-23)32-26(30)14-11-10-13-22(3)5-2/h15-18,20-22H,4-14,19H2,1-3H3/t22-/m0/s1


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