1-[4-(5-nonylpyridin-2-yl)phenoxy]propan-2-yl butanoate

Systemtic Name: 1-[4-(5-nonylpyridin-2-yl)phenoxy]propan-2-yl butanoate Openeye Name: [1-methyl-2-[4-(5-nonyl-2-pyridyl)phenoxy]ethyl] butanoate CAS Name: butanoic acid 1-[4-(5-nonyl-2-pyridinyl)phenoxy]propan-2-yl ester IUPAC Name: 1-[4-(5-nonylpyridin-2-yl)phenoxy]propan-2-yl butanoate Traditional Name: butyric acid [1-methyl-2-[4-(5-nonyl-2-pyridyl)phenoxy]ethyl] ester Formula: C27H39NO3 MolecularWeight: 425.60346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OCC(C)OC(=O)CCC

Isomeric SMILES

CCCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OCC(C)OC(=O)CCC

InChI

InChI=1S/C27H39NO3/c1-4-6-7-8-9-10-11-13-23-14-19-26(28-20-23)24-15-17-25(18-16-24)30-21-22(3)31-27(29)12-5-2/h14-20,22H,4-13,21H2,1-3H3