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

Systemtic Name: [4-[2-(4-pentadecylphenyl)pyrimidin-5-yl]phenyl] 6-methyloctanoate Openeye Name: [4-[2-(4-pentadecylphenyl)pyrimidin-5-yl]phenyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [4-[2-(4-pentadecylphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-pentadecylphenyl)pyrimidin-5-yl]phenyl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [4-[2-(4-pentadecylphenyl)pyrimidin-5-yl]phenyl] ester Formula: C40H58N2O2 MolecularWeight: 598.90072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCC(C)CC

InChI

InChI=1S/C40H58N2O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21-34-23-25-36(26-24-34)40-41-31-37(32-42-40)35-27-29-38(30-28-35)44-39(43)22-19-18-20-33(3)5-2/h23-33H,4-22H2,1-3H3