2-[[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]amino]ethyl pyridine-3-carboxylate

Systemtic Name: 2-[[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]amino]ethyl pyridine-3-carboxylate Openeye Name: 2-[[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]amino]ethyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 2-[[(5E,8E,11E,14E,17E)-1-oxoeicosa-5,8,11,14,17-pentaenyl]amino]ethyl ester IUPAC Name: 2-[[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]amino]ethyl pyridine-3-carboxylate Traditional Name: nicotinic acid 2-[[(5E,8E,11E,14E,17E)-eicosa-5,8,11,14,17-pentaenoyl]amino]ethyl ester Formula: C28H38N2O3 MolecularWeight: 450.61292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-27(31)30-23-24-33-28(32)26-20-19-22-29-25-26/h3-4,6-7,9-10,12-13,15-16,19-20,22,25H,2,5,8,11,14,17-18,21,23-24H2,1H3,(H,30,31)/b4-3+,7-6+,10-9+,13-12+,16-15+