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

Systemtic Name: [4-[2-(4-butylphenyl)pyrimidin-5-yl]phenyl] 6-methyloctanoate Openeye Name: [4-[2-(4-butylphenyl)pyrimidin-5-yl]phenyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [4-[2-(4-butylphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-butylphenyl)pyrimidin-5-yl]phenyl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [4-[2-(4-butylphenyl)pyrimidin-5-yl]phenyl] ester Formula: C29H36N2O2 MolecularWeight: 444.60834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCC(C)CC

InChI

InChI=1S/C29H36N2O2/c1-4-6-10-23-12-14-25(15-13-23)29-30-20-26(21-31-29)24-16-18-27(19-17-24)33-28(32)11-8-7-9-22(3)5-2/h12-22H,4-11H2,1-3H3