oxane; (4-phenyl-5-propoxy-pyrimidin-2-yl) 3-methylpentanoate

Systemtic Name: oxane; (4-phenyl-5-propoxy-pyrimidin-2-yl) 3-methylpentanoate Openeye Name: (4-phenyl-5-propoxy-pyrimidin-2-yl) 3-methylpentanoate; tetrahydropyran CAS Name: 3-methylpentanoic acid (4-phenyl-5-propoxy-2-pyrimidinyl) ester; oxane IUPAC Name: oxane; (4-phenyl-5-propoxypyrimidin-2-yl) 3-methylpentanoate Traditional Name: 3-methylvaleric acid (4-phenyl-5-propoxy-pyrimidin-2-yl) ester; tetrahydropyran Formula: C24H34N2O4 MolecularWeight: 414.53776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O3.C5H10O/c1-4-11-23-16-13-20-19(24-17(22)12-14(3)5-2)21-18(16)15-9-7-6-8-10-15;1-2-4-6-5-3-1/h6-10,13-14H,4-5,11-12H2,1-3H3;1-5H2