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

Systemtic Name: [4-[2-(4-pentoxyphenyl)pyrimidin-5-yl]phenyl] 6-methyloctanoate Openeye Name: [4-[2-(4-pentoxyphenyl)pyrimidin-5-yl]phenyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [4-[2-(4-pentoxyphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-pentoxyphenyl)pyrimidin-5-yl]phenyl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [4-[2-(4-amoxyphenyl)pyrimidin-5-yl]phenyl] ester Formula: C30H38N2O3 MolecularWeight: 474.63432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCC(C)CC

InChI

InChI=1S/C30H38N2O3/c1-4-6-9-20-34-27-16-14-25(15-17-27)30-31-21-26(22-32-30)24-12-18-28(19-13-24)35-29(33)11-8-7-10-23(3)5-2/h12-19,21-23H,4-11,20H2,1-3H3