3-[1-[4-(5-octoxypyrimidin-2-yl)phenyl]propyl]oxirane-2-carboxylate

Systemtic Name: 3-[1-[4-(5-octoxypyrimidin-2-yl)phenyl]propyl]oxirane-2-carboxylate Openeye Name: 3-[1-[4-(5-octoxypyrimidin-2-yl)phenyl]propyl]oxirane-2-carboxylate CAS Name: 3-[1-[4-(5-octoxy-2-pyrimidinyl)phenyl]propyl]-2-oxiranecarboxylate IUPAC Name: 3-[1-[4-(5-octoxypyrimidin-2-yl)phenyl]propyl]oxirane-2-carboxylate Traditional Name: 3-[1-[4-(5-octoxypyrimidin-2-yl)phenyl]propyl]oxirane-2-carboxylate Formula: C24H31N2O4- MolecularWeight: 411.51394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C(CC)C3C(O3)C(=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C(CC)C3C(O3)C(=O)[O-]

InChI

InChI=1S/C24H32N2O4/c1-3-5-6-7-8-9-14-29-19-15-25-23(26-16-19)18-12-10-17(11-13-18)20(4-2)21-22(30-21)24(27)28/h10-13,15-16,20-22H,3-9,14H2,1-2H3,(H,27,28)/p-1