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

Systemtic Name: 4-[4-(5-octylpyridin-2-yl)phenoxy]butan-2-yl butanoate Openeye Name: [1-methyl-3-[4-(5-octyl-2-pyridyl)phenoxy]propyl] butanoate CAS Name: butanoic acid 4-[4-(5-octyl-2-pyridinyl)phenoxy]butan-2-yl ester IUPAC Name: 4-[4-(5-octylpyridin-2-yl)phenoxy]butan-2-yl butanoate Traditional Name: butyric acid [1-methyl-3-[4-(5-octyl-2-pyridyl)phenoxy]propyl] ester Formula: C27H39NO3 MolecularWeight: 425.60346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39NO3/c1-4-6-7-8-9-10-12-23-13-18-26(28-21-23)24-14-16-25(17-15-24)30-20-19-22(3)31-27(29)11-5-2/h13-18,21-22H,4-12,19-20H2,1-3H3