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

Systemtic Name: 1-[4-(5-nonylpyridin-2-yl)phenoxy]propan-2-yl pentanoate Openeye Name: [1-methyl-2-[4-(5-nonyl-2-pyridyl)phenoxy]ethyl] pentanoate CAS Name: pentanoic acid 1-[4-(5-nonyl-2-pyridinyl)phenoxy]propan-2-yl ester IUPAC Name: 1-[4-(5-nonylpyridin-2-yl)phenoxy]propan-2-yl pentanoate Traditional Name: valeric acid [1-methyl-2-[4-(5-nonyl-2-pyridyl)phenoxy]ethyl] ester Formula: C28H41NO3 MolecularWeight: 439.63004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H41NO3/c1-4-6-8-9-10-11-12-13-24-15-20-27(29-21-24)25-16-18-26(19-17-25)31-22-23(3)32-28(30)14-7-5-2/h15-21,23H,4-14,22H2,1-3H3