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

Systemtic Name: [5-(heptoxymethoxy)-4-phenyl-pyrimidin-2-yl] 6-methyloctanoate Openeye Name: [5-(heptoxymethoxy)-4-phenyl-pyrimidin-2-yl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [5-(heptoxymethoxy)-4-phenyl-2-pyrimidinyl] ester IUPAC Name: [5-(heptoxymethoxy)-4-phenylpyrimidin-2-yl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [5-(heptoxymethoxy)-4-phenyl-pyrimidin-2-yl] ester Formula: C27H40N2O4 MolecularWeight: 456.6175

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCCOCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)CCCCC(C)CC

InChI

InChI=1S/C27H40N2O4/c1-4-6-7-8-14-19-31-21-32-24-20-28-27(29-26(24)23-16-10-9-11-17-23)33-25(30)18-13-12-15-22(3)5-2/h9-11,16-17,20,22H,4-8,12-15,18-19,21H2,1-3H3