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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCCCC(C)CC

InChI

InChI=1S/C28H42N2O3/c1-4-6-7-8-9-10-13-20-32-26-21-29-28(30-22-26)24-16-18-25(19-17-24)33-27(31)15-12-11-14-23(3)5-2/h16-19,21-23H,4-15,20H2,1-3H3