(3-hexadecanoyloxy-2-oxidanyl-propyl) pyridine-3-carboxylate

Systemtic Name: (3-hexadecanoyloxy-2-oxidanyl-propyl) pyridine-3-carboxylate Openeye Name: (3-hexadecanoyloxy-2-hydroxy-propyl) pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-hydroxy-3-(1-oxohexadecoxy)propyl] ester IUPAC Name: (3-hexadecanoyloxy-2-hydroxypropyl) pyridine-3-carboxylate Traditional Name: nicotinic acid (3-hexadecanoyloxy-2-hydroxy-propyl) ester Formula: C25H41NO5 MolecularWeight: 435.59674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)C1=CN=CC=C1)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)C1=CN=CC=C1)O

InChI

InChI=1S/C25H41NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-24(28)30-20-23(27)21-31-25(29)22-16-15-18-26-19-22/h15-16,18-19,23,27H,2-14,17,20-21H2,1H3