[(2S,4R)-2,3,4,5-tetrakis(pyridin-3-ylcarbonyloxy)pentyl] pyridine-3-carboxylate

Systemtic Name: [(2S,4R)-2,3,4,5-tetrakis(pyridin-3-ylcarbonyloxy)pentyl] pyridine-3-carboxylate Openeye Name: [(2S,4R)-2,3,4,5-tetrakis(pyridine-3-carbonyloxy)pentyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [(2S,4R)-2,3,4,5-tetrakis[oxo(3-pyridinyl)methoxy]pentyl] ester IUPAC Name: [(2S,4R)-2,3,4,5-tetrakis(pyridine-3-carbonyloxy)pentyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [(2S,4R)-2,3,4,5-tetranicotinoyloxypentyl] ester Formula: C35H27N5O10 MolecularWeight: 677.61638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=CN=C1)C(=O)OC[C@H](C([C@H](COC(=O)C2=CN=CC=C2)OC(=O)C3=CN=CC=C3)OC(=O)C4=CN=CC=C4)OC(=O)C5=CN=CC=C5

InChI

InChI=1S/C35H27N5O10/c41-31(23-6-1-11-36-16-23)46-21-28(48-33(43)25-8-3-13-38-18-25)30(50-35(45)27-10-5-15-40-20-27)29(49-34(44)26-9-4-14-39-19-26)22-47-32(42)24-7-2-12-37-17-24/h1-20,28-30H,21-22H2/t28-,29+,30?