[4-(5-octoxypyridin-2-yl)phenyl] 4-methylhexanoate

Systemtic Name: [4-(5-octoxypyridin-2-yl)phenyl] 4-methylhexanoate Openeye Name: [4-(5-octoxy-2-pyridyl)phenyl] 4-methylhexanoate CAS Name: 4-methylhexanoic acid [4-(5-octoxy-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-octoxypyridin-2-yl)phenyl] 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [4-(5-octoxy-2-pyridyl)phenyl] ester Formula: C26H37NO3 MolecularWeight: 411.57688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)CCC(C)CC

Isomeric SMILES

CCCCCCCCOC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)CCC(C)CC

InChI

InChI=1S/C26H37NO3/c1-4-6-7-8-9-10-19-29-24-16-17-25(27-20-24)22-12-14-23(15-13-22)30-26(28)18-11-21(3)5-2/h12-17,20-21H,4-11,18-19H2,1-3H3