[2-pyridin-3-ylcarbonyloxy-1,3,3-tris(pyridin-3-ylcarbonyloxymethyl)cyclohexyl]methyl pyridine-3-carboxylate

Systemtic Name: [2-pyridin-3-ylcarbonyloxy-1,3,3-tris(pyridin-3-ylcarbonyloxymethyl)cyclohexyl]methyl pyridine-3-carboxylate Openeye Name: [2-(pyridine-3-carbonyloxy)-1,3,3-tris(pyridine-3-carbonyloxymethyl)cyclohexyl]methyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-[oxo(3-pyridinyl)methoxy]-1,3,3-tris[[oxo(3-pyridinyl)methoxy]methyl]cyclohexyl]methyl ester IUPAC Name: [2-(pyridine-3-carbonyloxy)-1,3,3-tris(pyridine-3-carbonyloxymethyl)cyclohexyl]methyl pyridine-3-carboxylate Traditional Name: nicotinic acid [2-nicotinoyloxy-1,3,3-tris(nicotinoyloxymethyl)cyclohexyl]methyl ester Formula: C40H35N5O10 MolecularWeight: 745.7334

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C(C1)(COC(=O)C2=CN=CC=C2)COC(=O)C3=CN=CC=C3)OC(=O)C4=CN=CC=C4)(COC(=O)C5=CN=CC=C5)COC(=O)C6=CN=CC=C6

Isomeric SMILES

C1CC(C(C(C1)(COC(=O)C2=CN=CC=C2)COC(=O)C3=CN=CC=C3)OC(=O)C4=CN=CC=C4)(COC(=O)C5=CN=CC=C5)COC(=O)C6=CN=CC=C6

InChI

InChI=1S/C40H35N5O10/c46-33(28-7-1-14-41-19-28)51-24-39(25-52-34(47)29-8-2-15-42-20-29)12-6-13-40(26-53-35(48)30-9-3-16-43-21-30,27-54-36(49)31-10-4-17-44-22-31)38(39)55-37(50)32-11-5-18-45-23-32/h1-5,7-11,14-23,38H,6,12-13,24-27H2