[4-[5-(2-hexoxyethoxy)pyridin-2-yl]phenyl] 6-methyloctanoate

Systemtic Name: [4-[5-(2-hexoxyethoxy)pyridin-2-yl]phenyl] 6-methyloctanoate Openeye Name: [4-[5-(2-hexoxyethoxy)-2-pyridyl]phenyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [4-[5-(2-hexoxyethoxy)-2-pyridinyl]phenyl] ester IUPAC Name: [4-[5-(2-hexoxyethoxy)pyridin-2-yl]phenyl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [4-[5-(2-hexoxyethoxy)-2-pyridyl]phenyl] ester Formula: C28H41NO4 MolecularWeight: 455.62944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOCCOC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCOCCOC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)CCCCC(C)CC

InChI

InChI=1S/C28H41NO4/c1-4-6-7-10-19-31-20-21-32-26-17-18-27(29-22-26)24-13-15-25(16-14-24)33-28(30)12-9-8-11-23(3)5-2/h13-18,22-23H,4-12,19-21H2,1-3H3