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

Systemtic Name: [4-[2-(4-decylphenyl)pyrimidin-5-yl]phenyl] 6-methyloctanoate Openeye Name: [4-[2-(4-decylphenyl)pyrimidin-5-yl]phenyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [4-[2-(4-decylphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-decylphenyl)pyrimidin-5-yl]phenyl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [4-[2-(4-decylphenyl)pyrimidin-5-yl]phenyl] ester Formula: C35H48N2O2 MolecularWeight: 528.76782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCC(C)CC

InChI

InChI=1S/C35H48N2O2/c1-4-6-7-8-9-10-11-12-16-29-18-20-31(21-19-29)35-36-26-32(27-37-35)30-22-24-33(25-23-30)39-34(38)17-14-13-15-28(3)5-2/h18-28H,4-17H2,1-3H3