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

Systemtic Name:	[2-(4-dodecoxyphenyl)pyrimidin-5-yl] 6-methyloctanoate
Openeye Name:	[2-(4-dodecoxyphenyl)pyrimidin-5-yl] 6-methyloctanoate
CAS Name:	6-methyloctanoic acid [2-(4-dodecoxyphenyl)-5-pyrimidinyl] ester
IUPAC Name:	[2-(4-dodecoxyphenyl)pyrimidin-5-yl] 6-methyloctanoate
Traditional Name:	6-methylcaprylic acid [2-(4-lauryloxyphenyl)pyrimidin-5-yl] ester
Formula:	C₃₁H₄₈N₂O₃
MolecularWeight:	496.72442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCC(C)CC

InChI

InChI=1S/C31H48N2O3/c1-4-6-7-8-9-10-11-12-13-16-23-35-28-21-19-27(20-22-28)31-32-24-29(25-33-31)36-30(34)18-15-14-17-26(3)5-2/h19-22,24-26H,4-18,23H2,1-3H3

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