(5-octoxy-4-phenyl-pyrimidin-2-yl) 4-methylhexanoate

Systemtic Name: (5-octoxy-4-phenyl-pyrimidin-2-yl) 4-methylhexanoate Openeye Name: (5-octoxy-4-phenyl-pyrimidin-2-yl) 4-methylhexanoate CAS Name: 4-methylhexanoic acid (5-octoxy-4-phenyl-2-pyrimidinyl) ester IUPAC Name: (5-octoxy-4-phenylpyrimidin-2-yl) 4-methylhexanoate Traditional Name: 4-methylhexanoic acid (5-octoxy-4-phenyl-pyrimidin-2-yl) ester Formula: C25H36N2O3 MolecularWeight: 412.56494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)CCC(C)CC

Isomeric SMILES

CCCCCCCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)CCC(C)CC

InChI

InChI=1S/C25H36N2O3/c1-4-6-7-8-9-13-18-29-22-19-26-25(30-23(28)17-16-20(3)5-2)27-24(22)21-14-11-10-12-15-21/h10-12,14-15,19-20H,4-9,13,16-18H2,1-3H3