[4-[[2,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-3-yl]iminomethyl]phenyl] pyridine-3-carboxylate

Systemtic Name: [4-[[2,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-3-yl]iminomethyl]phenyl] pyridine-3-carboxylate Openeye Name: [4-[[2,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-3-yl]iminomethyl]phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [4-[[2,4,5-triacetyloxy-6-(acetyloxymethyl)-3-oxanyl]iminomethyl]phenyl] ester IUPAC Name: [4-[[2,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-3-yl]iminomethyl]phenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [4-[[2,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-3-yl]iminomethyl]phenyl] ester Formula: C27H28N2O11 MolecularWeight: 556.51802

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC(=O)C)N=CC2=CC=C(C=C2)OC(=O)C3=CN=CC=C3)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(C(O1)OC(=O)C)N=CC2=CC=C(C=C2)OC(=O)C3=CN=CC=C3)OC(=O)C)OC(=O)C

InChI

InChI=1S/C27H28N2O11/c1-15(30)35-14-22-24(36-16(2)31)25(37-17(3)32)23(27(40-22)38-18(4)33)29-12-19-7-9-21(10-8-19)39-26(34)20-6-5-11-28-13-20/h5-13,22-25,27H,14H2,1-4H3