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

Systemtic Name: 1-[4-(3-nonylpyridin-2-yl)phenoxy]propan-2-yl butanoate Openeye Name: [1-methyl-2-[4-(3-nonyl-2-pyridyl)phenoxy]ethyl] butanoate CAS Name: butanoic acid 1-[4-(3-nonyl-2-pyridinyl)phenoxy]propan-2-yl ester IUPAC Name: 1-[4-(3-nonylpyridin-2-yl)phenoxy]propan-2-yl butanoate Traditional Name: butyric acid [1-methyl-2-[4-(3-nonyl-2-pyridyl)phenoxy]ethyl] ester Formula: C27H39NO3 MolecularWeight: 425.60346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39NO3/c1-4-6-7-8-9-10-11-14-23-15-12-20-28-27(23)24-16-18-25(19-17-24)30-21-22(3)31-26(29)13-5-2/h12,15-20,22H,4-11,13-14,21H2,1-3H3