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

Systemtic Name: (5-decoxy-4-phenyl-pyrimidin-2-yl) 6-methyloctanoate Openeye Name: (5-decoxy-4-phenyl-pyrimidin-2-yl) 6-methyloctanoate CAS Name: 6-methyloctanoic acid (5-decoxy-4-phenyl-2-pyrimidinyl) ester IUPAC Name: (5-decoxy-4-phenylpyrimidin-2-yl) 6-methyloctanoate Traditional Name: 6-methylcaprylic acid (5-decoxy-4-phenyl-pyrimidin-2-yl) ester Formula: C29H44N2O3 MolecularWeight: 468.67126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCCCCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)CCCCC(C)CC

InChI

InChI=1S/C29H44N2O3/c1-4-6-7-8-9-10-11-17-22-33-26-23-30-29(31-28(26)25-19-13-12-14-20-25)34-27(32)21-16-15-18-24(3)5-2/h12-14,19-20,23-24H,4-11,15-18,21-22H2,1-3H3