1-[4-(5-octylpyrimidin-2-yl)phenoxy]propan-2-yl heptanoate

Systemtic Name: 1-[4-(5-octylpyrimidin-2-yl)phenoxy]propan-2-yl heptanoate Openeye Name: [1-methyl-2-[4-(5-octylpyrimidin-2-yl)phenoxy]ethyl] heptanoate CAS Name: heptanoic acid 1-[4-(5-octyl-2-pyrimidinyl)phenoxy]propan-2-yl ester IUPAC Name: 1-[4-(5-octylpyrimidin-2-yl)phenoxy]propan-2-yl heptanoate Traditional Name: enanthic acid [1-methyl-2-[4-(5-octylpyrimidin-2-yl)phenoxy]ethyl] ester Formula: C28H42N2O3 MolecularWeight: 454.64468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC(C)OC(=O)CCCCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC(C)OC(=O)CCCCCC

InChI

InChI=1S/C28H42N2O3/c1-4-6-8-10-11-12-14-24-20-29-28(30-21-24)25-16-18-26(19-17-25)32-22-23(3)33-27(31)15-13-9-7-5-2/h16-21,23H,4-15,22H2,1-3H3