ethyl 11-[4-(5-pentylpyridin-2-yl)phenoxy]undecanoate

Systemtic Name: ethyl 11-[4-(5-pentylpyridin-2-yl)phenoxy]undecanoate Openeye Name: ethyl 11-[4-(5-pentyl-2-pyridyl)phenoxy]undecanoate CAS Name: 11-[4-(5-pentyl-2-pyridinyl)phenoxy]undecanoic acid ethyl ester IUPAC Name: ethyl 11-[4-(5-pentylpyridin-2-yl)phenoxy]undecanoate Traditional Name: 11-[4-(5-amyl-2-pyridyl)phenoxy]undecanoic acid ethyl ester Formula: C29H43NO3 MolecularWeight: 453.65662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OCCCCCCCCCCC(=O)OCC

Isomeric SMILES

CCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OCCCCCCCCCCC(=O)OCC

InChI

InChI=1S/C29H43NO3/c1-3-5-12-15-25-17-22-28(30-24-25)26-18-20-27(21-19-26)33-23-14-11-9-7-6-8-10-13-16-29(31)32-4-2/h17-22,24H,3-16,23H2,1-2H3