[5-(pyridin-3-ylcarbonylamino)-3,4,6-tris(pyridin-3-ylcarbonyloxy)oxan-2-yl]methyl pyridine-3-carboxylate

Systemtic Name: [5-(pyridin-3-ylcarbonylamino)-3,4,6-tris(pyridin-3-ylcarbonyloxy)oxan-2-yl]methyl pyridine-3-carboxylate Openeye Name: [5-(pyridine-3-carbonylamino)-3,4,6-tris(pyridine-3-carbonyloxy)tetrahydropyran-2-yl]methyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [3,4,6-tris[oxo(3-pyridinyl)methoxy]-5-[[oxo(3-pyridinyl)methyl]amino]-2-oxanyl]methyl ester IUPAC Name: [5-(pyridine-3-carbonylamino)-3,4,6-tris(pyridine-3-carbonyloxy)oxan-2-yl]methyl pyridine-3-carboxylate Traditional Name: nicotinic acid (5-nicotinamido-3,4,6-trinicotinoyloxy-tetrahydropyran-2-yl)methyl ester Formula: C36H28N6O10 MolecularWeight: 704.64172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)NC2C(C(C(OC2OC(=O)C3=CN=CC=C3)COC(=O)C4=CN=CC=C4)OC(=O)C5=CN=CC=C5)OC(=O)C6=CN=CC=C6

Isomeric SMILES

C1=CC(=CN=C1)C(=O)NC2C(C(C(OC2OC(=O)C3=CN=CC=C3)COC(=O)C4=CN=CC=C4)OC(=O)C5=CN=CC=C5)OC(=O)C6=CN=CC=C6

InChI

InChI=1S/C36H28N6O10/c43-31(22-6-1-11-37-16-22)42-28-30(51-34(46)25-9-4-14-40-19-25)29(50-33(45)24-8-3-13-39-18-24)27(21-48-32(44)23-7-2-12-38-17-23)49-36(28)52-35(47)26-10-5-15-41-20-26/h1-20,27-30,36H,21H2,(H,42,43)