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

Systemtic Name: [4-[2-(4-hexylphenyl)pyrimidin-5-yl]phenyl] 6-methyloctanoate Openeye Name: [4-[2-(4-hexylphenyl)pyrimidin-5-yl]phenyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [4-[2-(4-hexylphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-hexylphenyl)pyrimidin-5-yl]phenyl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [4-[2-(4-hexylphenyl)pyrimidin-5-yl]phenyl] ester Formula: C31H40N2O2 MolecularWeight: 472.6615

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCC(C)CC

InChI

InChI=1S/C31H40N2O2/c1-4-6-7-8-12-25-14-16-27(17-15-25)31-32-22-28(23-33-31)26-18-20-29(21-19-26)35-30(34)13-10-9-11-24(3)5-2/h14-24H,4-13H2,1-3H3