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

Systemtic Name: [4-[2-(4-decoxyphenyl)pyrimidin-5-yl]phenyl] 6-methyloctanoate Openeye Name: [4-[2-(4-decoxyphenyl)pyrimidin-5-yl]phenyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [4-[2-(4-decoxyphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-decoxyphenyl)pyrimidin-5-yl]phenyl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [4-[2-(4-decoxyphenyl)pyrimidin-5-yl]phenyl] ester Formula: C35H48N2O3 MolecularWeight: 544.76722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCC(C)CC

InChI

InChI=1S/C35H48N2O3/c1-4-6-7-8-9-10-11-14-25-39-32-21-19-30(20-22-32)35-36-26-31(27-37-35)29-17-23-33(24-18-29)40-34(38)16-13-12-15-28(3)5-2/h17-24,26-28H,4-16,25H2,1-3H3