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

Systemtic Name: 4-[4-(5-octylpyridin-2-yl)phenoxy]butan-2-yl pentanoate Openeye Name: [1-methyl-3-[4-(5-octyl-2-pyridyl)phenoxy]propyl] pentanoate CAS Name: pentanoic acid 4-[4-(5-octyl-2-pyridinyl)phenoxy]butan-2-yl ester IUPAC Name: 4-[4-(5-octylpyridin-2-yl)phenoxy]butan-2-yl pentanoate Traditional Name: valeric acid [1-methyl-3-[4-(5-octyl-2-pyridyl)phenoxy]propyl] ester Formula: C28H41NO3 MolecularWeight: 439.63004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H41NO3/c1-4-6-8-9-10-11-12-24-14-19-27(29-22-24)25-15-17-26(18-16-25)31-21-20-23(3)32-28(30)13-7-5-2/h14-19,22-23H,4-13,20-21H2,1-3H3