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

Systemtic Name: [5-methyl-2-oxidanylidene-1,3,3-tris(pyridin-3-ylcarbonyloxymethyl)cyclohexyl]methyl pyridine-3-carboxylate Openeye Name: [5-methyl-2-oxo-1,3,3-tris(pyridine-3-carbonyloxymethyl)cyclohexyl]methyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [5-methyl-2-oxo-1,3,3-tris[[oxo(3-pyridinyl)methoxy]methyl]cyclohexyl]methyl ester IUPAC Name: [5-methyl-2-oxo-1,3,3-tris(pyridine-3-carbonyloxymethyl)cyclohexyl]methyl pyridine-3-carboxylate Traditional Name: nicotinic acid [2-keto-5-methyl-1,3,3-tris(nicotinoyloxymethyl)cyclohexyl]methyl ester Formula: C35H32N4O9 MolecularWeight: 652.64998

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)C(C1)(COC(=O)C2=CN=CC=C2)COC(=O)C3=CN=CC=C3)(COC(=O)C4=CN=CC=C4)COC(=O)C5=CN=CC=C5

Isomeric SMILES

CC1CC(C(=O)C(C1)(COC(=O)C2=CN=CC=C2)COC(=O)C3=CN=CC=C3)(COC(=O)C4=CN=CC=C4)COC(=O)C5=CN=CC=C5

InChI

InChI=1S/C35H32N4O9/c1-24-14-34(20-45-29(40)25-6-2-10-36-16-25,21-46-30(41)26-7-3-11-37-17-26)33(44)35(15-24,22-47-31(42)27-8-4-12-38-18-27)23-48-32(43)28-9-5-13-39-19-28/h2-13,16-19,24H,14-15,20-23H2,1H3