4-[4-(5-octylpyridin-2-yl)phenoxy]butan-2-yl hexanoate

Systemtic Name: 4-[4-(5-octylpyridin-2-yl)phenoxy]butan-2-yl hexanoate Openeye Name: [1-methyl-3-[4-(5-octyl-2-pyridyl)phenoxy]propyl] hexanoate CAS Name: hexanoic acid 4-[4-(5-octyl-2-pyridinyl)phenoxy]butan-2-yl ester IUPAC Name: 4-[4-(5-octylpyridin-2-yl)phenoxy]butan-2-yl hexanoate Traditional Name: hexanoic acid [1-methyl-3-[4-(5-octyl-2-pyridyl)phenoxy]propyl] ester Formula: C29H43NO3 MolecularWeight: 453.65662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OCCC(C)OC(=O)CCCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OCCC(C)OC(=O)CCCCC

InChI

InChI=1S/C29H43NO3/c1-4-6-8-9-10-12-13-25-15-20-28(30-23-25)26-16-18-27(19-17-26)32-22-21-24(3)33-29(31)14-11-7-5-2/h15-20,23-24H,4-14,21-22H2,1-3H3