2-[[(9E,12E,15E)-octadeca-9,12,15-trienoyl]amino]ethyl pyridine-3-carboxylate

Systemtic Name: 2-[[(9E,12E,15E)-octadeca-9,12,15-trienoyl]amino]ethyl pyridine-3-carboxylate Openeye Name: 2-[[(9E,12E,15E)-octadeca-9,12,15-trienoyl]amino]ethyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 2-[[(9E,12E,15E)-1-oxooctadeca-9,12,15-trienyl]amino]ethyl ester IUPAC Name: 2-[[(9E,12E,15E)-octadeca-9,12,15-trienoyl]amino]ethyl pyridine-3-carboxylate Traditional Name: nicotinic acid 2-[[(9E,12E,15E)-octadeca-9,12,15-trienoyl]amino]ethyl ester Formula: C26H38N2O3 MolecularWeight: 426.59152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC=CCC=CCC=CCCCCCCCC(=O)NCCOC(=O)C1=CN=CC=C1

Isomeric SMILES

CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)NCCOC(=O)C1=CN=CC=C1

InChI

InChI=1S/C26H38N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25(29)28-21-22-31-26(30)24-18-17-20-27-23-24/h3-4,6-7,9-10,17-18,20,23H,2,5,8,11-16,19,21-22H2,1H3,(H,28,29)/b4-3+,7-6+,10-9+