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

Systemtic Name: [4-[2-(4-pentadecoxyphenyl)pyrimidin-5-yl]phenyl] 6-methyloctanoate Openeye Name: [4-[2-(4-pentadecoxyphenyl)pyrimidin-5-yl]phenyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [4-[2-(4-pentadecoxyphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-pentadecoxyphenyl)pyrimidin-5-yl]phenyl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [4-[2-(4-pentadecoxyphenyl)pyrimidin-5-yl]phenyl] ester Formula: C40H58N2O3 MolecularWeight: 614.90012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCC(C)CC

InChI

InChI=1S/C40H58N2O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-19-30-44-37-26-24-35(25-27-37)40-41-31-36(32-42-40)34-22-28-38(29-23-34)45-39(43)21-18-17-20-33(3)5-2/h22-29,31-33H,4-21,30H2,1-3H3