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

Systemtic Name: [4-[5-(heptoxymethoxy)pyridin-2-yl]phenyl] 4-methylhexanoate Openeye Name: [4-[5-(heptoxymethoxy)-2-pyridyl]phenyl] 4-methylhexanoate CAS Name: 4-methylhexanoic acid [4-[5-(heptoxymethoxy)-2-pyridinyl]phenyl] ester IUPAC Name: [4-[5-(heptoxymethoxy)pyridin-2-yl]phenyl] 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [4-[5-(heptoxymethoxy)-2-pyridyl]phenyl] ester Formula: C26H37NO4 MolecularWeight: 427.57628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37NO4/c1-4-6-7-8-9-18-29-20-30-24-15-16-25(27-19-24)22-11-13-23(14-12-22)31-26(28)17-10-21(3)5-2/h11-16,19,21H,4-10,17-18,20H2,1-3H3