1-[4-(5-nonylpyridin-2-yl)phenoxy]propan-2-yl 3-ethoxypropanoate

Systemtic Name: 1-[4-(5-nonylpyridin-2-yl)phenoxy]propan-2-yl 3-ethoxypropanoate Openeye Name: [1-methyl-2-[4-(5-nonyl-2-pyridyl)phenoxy]ethyl] 3-ethoxypropanoate CAS Name: 3-ethoxypropanoic acid 1-[4-(5-nonyl-2-pyridinyl)phenoxy]propan-2-yl ester IUPAC Name: 1-[4-(5-nonylpyridin-2-yl)phenoxy]propan-2-yl 3-ethoxypropanoate Traditional Name: 3-ethoxypropionic acid [1-methyl-2-[4-(5-nonyl-2-pyridyl)phenoxy]ethyl] ester Formula: C28H41NO4 MolecularWeight: 455.62944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H41NO4/c1-4-6-7-8-9-10-11-12-24-13-18-27(29-21-24)25-14-16-26(17-15-25)32-22-23(3)33-28(30)19-20-31-5-2/h13-18,21,23H,4-12,19-20,22H2,1-3H3