bis[(1S)-1-[6-(hexadecanoyloxymethyl)pyridin-2-yl]ethyl] pyridine-2,6-dicarboxylate

Systemtic Name: bis[(1S)-1-[6-(hexadecanoyloxymethyl)pyridin-2-yl]ethyl] pyridine-2,6-dicarboxylate Openeye Name: bis[(1S)-1-[6-(hexadecanoyloxymethyl)-2-pyridyl]ethyl] pyridine-2,6-dicarboxylate CAS Name: pyridine-2,6-dicarboxylic acid bis[(1S)-1-[6-(1-oxohexadecoxymethyl)-2-pyridinyl]ethyl] ester IUPAC Name: bis[(1S)-1-[6-(hexadecanoyloxymethyl)pyridin-2-yl]ethyl] pyridine-2,6-dicarboxylate Traditional Name: pyridine-2,6-dicarboxylic acid bis[(1S)-1-[6-(hexadecanoyloxymethyl)-2-pyridyl]ethyl] ester Formula: C55H83N3O8 MolecularWeight: 914.26282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC1=NC(=CC=C1)C(C)OC(=O)C2=NC(=CC=C2)C(=O)OC(C)C3=CC=CC(=N3)COC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC1=NC(=CC=C1)[C@H](C)OC(=O)C2=NC(=CC=C2)C(=O)O[C@@H](C)C3=CC=CC(=N3)COC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C55H83N3O8/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-40-52(59)63-42-46-34-31-36-48(56-46)44(3)65-54(61)50-38-33-39-51(58-50)55(62)66-45(4)49-37-32-35-47(57-49)43-64-53(60)41-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h31-39,44-45H,5-30,40-43H2,1-4H3/t44-,45-/m0/s1