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[4-[2-(4-octylphenyl)pyrimidin-5-yl]phenyl] 6-methyloctanoate

[4-[2-(4-octylphenyl)pyrimidin-5-yl]phenyl] 6-methyloctanoate

Systemtic Name:[4-[2-(4-octylphenyl)pyrimidin-5-yl]phenyl] 6-methyloctanoate
Openeye Name:[4-[2-(4-octylphenyl)pyrimidin-5-yl]phenyl] 6-methyloctanoate
CAS Name:6-methyloctanoic acid [4-[2-(4-octylphenyl)-5-pyrimidinyl]phenyl] ester
IUPAC Name:[4-[2-(4-octylphenyl)pyrimidin-5-yl]phenyl] 6-methyloctanoate
Traditional Name:6-methylcaprylic acid [4-[2-(4-octylphenyl)pyrimidin-5-yl]phenyl] ester
Formula: C33H44N2O2
MolecularWeight: 500.71466
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCC(C)CC


Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCC(C)CC


InChI

InChI=1S/C33H44N2O2/c1-4-6-7-8-9-10-14-27-16-18-29(19-17-27)33-34-24-30(25-35-33)28-20-22-31(23-21-28)37-32(36)15-12-11-13-26(3)5-2/h16-26H,4-15H2,1-3H3


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