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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOCOC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCCOCOC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)CCCCC(C)CC

InChI

InChI=1S/C28H41NO4/c1-4-6-7-8-11-20-31-22-32-26-18-19-27(29-21-26)24-14-16-25(17-15-24)33-28(30)13-10-9-12-23(3)5-2/h14-19,21,23H,4-13,20,22H2,1-3H3