[5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl octanoate

Systemtic Name: [5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl octanoate Openeye Name: [3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl octanoate CAS Name: octanoic acid [3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl ester IUPAC Name: [3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl octanoate Traditional Name: caprylic acid [5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C18H28N2O6 MolecularWeight: 368.42472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)C)O

Isomeric SMILES

CCCCCCCC(=O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)C)O

InChI

InChI=1S/C18H28N2O6/c1-3-4-5-6-7-8-16(22)25-11-14-13(21)9-15(26-14)20-10-12(2)17(23)19-18(20)24/h10,13-15,21H,3-9,11H2,1-2H3,(H,19,23,24)