[3-oxidanyl-2,4,5-tris(pyridin-3-ylcarbonyloxymethyl)cyclohexyl]methyl pyridine-3-carboxylate

Systemtic Name: [3-oxidanyl-2,4,5-tris(pyridin-3-ylcarbonyloxymethyl)cyclohexyl]methyl pyridine-3-carboxylate Openeye Name: [3-hydroxy-2,4,5-tris(pyridine-3-carbonyloxymethyl)cyclohexyl]methyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [3-hydroxy-2,4,5-tris[[oxo(3-pyridinyl)methoxy]methyl]cyclohexyl]methyl ester IUPAC Name: [3-hydroxy-2,4,5-tris(pyridine-3-carbonyloxymethyl)cyclohexyl]methyl pyridine-3-carboxylate Traditional Name: nicotinic acid [3-hydroxy-2,4,5-tris(nicotinoyloxymethyl)cyclohexyl]methyl ester Formula: C34H32N4O9 MolecularWeight: 640.63928

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(C1COC(=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

C1C(C(C(C(C1COC(=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/c39-30-28(20-46-33(42)24-7-3-11-37-16-24)26(18-44-31(40)22-5-1-9-35-14-22)13-27(19-45-32(41)23-6-2-10-36-15-23)29(30)21-47-34(43)25-8-4-12-38-17-25/h1-12,14-17,26-30,39H,13,18-21H2