docosyl pyridine-2-carboxylate

Systemtic Name: docosyl pyridine-2-carboxylate Openeye Name: docosyl pyridine-2-carboxylate CAS Name: 2-pyridinecarboxylic acid docosyl ester IUPAC Name: docosyl pyridine-2-carboxylate Traditional Name: picolinic acid behenyl ester Formula: C28H49NO2 MolecularWeight: 431.69416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCOC(=O)C1=CC=CC=N1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCOC(=O)C1=CC=CC=N1

InChI

InChI=1S/C28H49NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-31-28(30)27-24-21-22-25-29-27/h21-22,24-25H,2-20,23,26H2,1H3