oxane; (4-phenyl-5-propoxy-pyrimidin-2-yl) 6-methyloctanoate

Systemtic Name: oxane; (4-phenyl-5-propoxy-pyrimidin-2-yl) 6-methyloctanoate Openeye Name: (4-phenyl-5-propoxy-pyrimidin-2-yl) 6-methyloctanoate; tetrahydropyran CAS Name: 6-methyloctanoic acid (4-phenyl-5-propoxy-2-pyrimidinyl) ester; oxane IUPAC Name: oxane; (4-phenyl-5-propoxypyrimidin-2-yl) 6-methyloctanoate Traditional Name: 6-methylcaprylic acid (4-phenyl-5-propoxy-pyrimidin-2-yl) ester; tetrahydropyran Formula: C27H40N2O4 MolecularWeight: 456.6175

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)CCCCC(C)CC.C1CCOCC1

Isomeric SMILES

CCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)CCCCC(C)CC.C1CCOCC1

InChI

InChI=1S/C22H30N2O3.C5H10O/c1-4-15-26-19-16-23-22(24-21(19)18-12-7-6-8-13-18)27-20(25)14-10-9-11-17(3)5-2;1-2-4-6-5-3-1/h6-8,12-13,16-17H,4-5,9-11,14-15H2,1-3H3;1-5H2