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

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

Systemtic Name:[4-(5-undecylpyrimidin-2-yl)phenyl] (6S)-6-methyloctanoate
Openeye Name:[4-(5-undecylpyrimidin-2-yl)phenyl] (6S)-6-methyloctanoate
CAS Name:(6S)-6-methyloctanoic acid [4-(5-undecyl-2-pyrimidinyl)phenyl] ester
IUPAC Name:[4-(5-undecylpyrimidin-2-yl)phenyl] (6S)-6-methyloctanoate
Traditional Name:(6S)-6-methylcaprylic acid [4-(5-undecylpyrimidin-2-yl)phenyl] ester
Formula: C30H46N2O2
MolecularWeight: 466.69844
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCCCC(C)CC


Isomeric SMILES

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCCC[C@@H](C)CC


InChI

InChI=1S/C30H46N2O2/c1-4-6-7-8-9-10-11-12-13-17-26-23-31-30(32-24-26)27-19-21-28(22-20-27)34-29(33)18-15-14-16-25(3)5-2/h19-25H,4-18H2,1-3H3/t25-/m0/s1


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