[4-(5-decoxypyrimidin-2-yl)phenyl] 6-methyloctanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCCCC(C)CC

InChI

InChI=1S/C29H44N2O3/c1-4-6-7-8-9-10-11-14-21-33-27-22-30-29(31-23-27)25-17-19-26(20-18-25)34-28(32)16-13-12-15-24(3)5-2/h17-20,22-24H,4-16,21H2,1-3H3