5-[4-(5-octylpyrimidin-2-yl)phenoxy]pentan-2-yl butanoate

Systemtic Name: 5-[4-(5-octylpyrimidin-2-yl)phenoxy]pentan-2-yl butanoate Openeye Name: [1-methyl-4-[4-(5-octylpyrimidin-2-yl)phenoxy]butyl] butanoate CAS Name: butanoic acid 5-[4-(5-octyl-2-pyrimidinyl)phenoxy]pentan-2-yl ester IUPAC Name: 5-[4-(5-octylpyrimidin-2-yl)phenoxy]pentan-2-yl butanoate Traditional Name: butyric acid [1-methyl-4-[4-(5-octylpyrimidin-2-yl)phenoxy]butyl] ester Formula: C27H40N2O3 MolecularWeight: 440.6181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCCC(C)OC(=O)CCC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCCC(C)OC(=O)CCC

InChI

InChI=1S/C27H40N2O3/c1-4-6-7-8-9-10-14-23-20-28-27(29-21-23)24-15-17-25(18-16-24)31-19-11-13-22(3)32-26(30)12-5-2/h15-18,20-22H,4-14,19H2,1-3H3