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

Systemtic Name: [2-oxidanyl-1,3,3-tris(pyridin-3-ylcarbonyloxymethyl)cyclohexyl]methyl pyridine-3-carboxylate Openeye Name: [2-hydroxy-1,3,3-tris(pyridine-3-carbonyloxymethyl)cyclohexyl]methyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-hydroxy-1,3,3-tris[[oxo(3-pyridinyl)methoxy]methyl]cyclohexyl]methyl ester IUPAC Name: [2-hydroxy-1,3,3-tris(pyridine-3-carbonyloxymethyl)cyclohexyl]methyl pyridine-3-carboxylate Traditional Name: nicotinic acid [2-hydroxy-1,3,3-tris(nicotinoyloxymethyl)cyclohexyl]methyl ester Formula: C34H32N4O9 MolecularWeight: 640.63928

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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)O)(COC(=O)C4=CN=CC=C4)COC(=O)C5=CN=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C34H32N4O9/c39-28(24-6-1-12-35-16-24)44-20-33(21-45-29(40)25-7-2-13-36-17-25)10-5-11-34(32(33)43,22-46-30(41)26-8-3-14-37-18-26)23-47-31(42)27-9-4-15-38-19-27/h1-4,6-9,12-19,32,43H,5,10-11,20-23H2