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

Systemtic Name: (5-heptoxy-4-phenyl-pyrimidin-2-yl) 4-methylhexanoate Openeye Name: (5-heptoxy-4-phenyl-pyrimidin-2-yl) 4-methylhexanoate CAS Name: 4-methylhexanoic acid (5-heptoxy-4-phenyl-2-pyrimidinyl) ester IUPAC Name: (5-heptoxy-4-phenylpyrimidin-2-yl) 4-methylhexanoate Traditional Name: 4-methylhexanoic acid (5-heptoxy-4-phenyl-pyrimidin-2-yl) ester Formula: C24H34N2O3 MolecularWeight: 398.53836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)CCC(C)CC

Isomeric SMILES

CCCCCCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)CCC(C)CC

InChI

InChI=1S/C24H34N2O3/c1-4-6-7-8-12-17-28-21-18-25-24(29-22(27)16-15-19(3)5-2)26-23(21)20-13-10-9-11-14-20/h9-11,13-14,18-19H,4-8,12,15-17H2,1-3H3