(5-ethoxy-4-phenyl-pyrimidin-2-yl) 3-methylpentanoate; 2-methyloxane

Systemtic Name: (5-ethoxy-4-phenyl-pyrimidin-2-yl) 3-methylpentanoate; 2-methyloxane Openeye Name: (5-ethoxy-4-phenyl-pyrimidin-2-yl) 3-methylpentanoate; 2-methyltetrahydropyran CAS Name: 2-methyloxane; 3-methylpentanoic acid (5-ethoxy-4-phenyl-2-pyrimidinyl) ester IUPAC Name: (5-ethoxy-4-phenylpyrimidin-2-yl) 3-methylpentanoate; 2-methyloxane Traditional Name: 2-methyltetrahydropyran; 3-methylvaleric acid (5-ethoxy-4-phenyl-pyrimidin-2-yl) ester Formula: C24H34N2O4 MolecularWeight: 414.53776

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(=O)OC1=NC=C(C(=N1)C2=CC=CC=C2)OCC.CC1CCCCO1

Isomeric SMILES

CCC(C)CC(=O)OC1=NC=C(C(=N1)C2=CC=CC=C2)OCC.CC1CCCCO1

InChI

InChI=1S/C18H22N2O3.C6H12O/c1-4-13(3)11-16(21)23-18-19-12-15(22-5-2)17(20-18)14-9-7-6-8-10-14;1-6-4-2-3-5-7-6/h6-10,12-13H,4-5,11H2,1-3H3;6H,2-5H2,1H3