(5-nonoxy-4-phenyl-pyrimidin-2-yl) 6-methyloctanoate

Systemtic Name: (5-nonoxy-4-phenyl-pyrimidin-2-yl) 6-methyloctanoate Openeye Name: (5-nonoxy-4-phenyl-pyrimidin-2-yl) 6-methyloctanoate CAS Name: 6-methyloctanoic acid (5-nonoxy-4-phenyl-2-pyrimidinyl) ester IUPAC Name: (5-nonoxy-4-phenylpyrimidin-2-yl) 6-methyloctanoate Traditional Name: 6-methylcaprylic acid (5-nonoxy-4-phenyl-pyrimidin-2-yl) ester Formula: C28H42N2O3 MolecularWeight: 454.64468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCCCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)CCCCC(C)CC

InChI

InChI=1S/C28H42N2O3/c1-4-6-7-8-9-10-16-21-32-25-22-29-28(30-27(25)24-18-12-11-13-19-24)33-26(31)20-15-14-17-23(3)5-2/h11-13,18-19,22-23H,4-10,14-17,20-21H2,1-3H3