2-(pyridin-3-ylcarbonylamino)ethyl (6E,9E,12E)-octadeca-6,9,12-trienoate

Systemtic Name: 2-(pyridin-3-ylcarbonylamino)ethyl (6E,9E,12E)-octadeca-6,9,12-trienoate Openeye Name: 2-(pyridine-3-carbonylamino)ethyl (6E,9E,12E)-octadeca-6,9,12-trienoate CAS Name: (6E,9E,12E)-octadeca-6,9,12-trienoic acid 2-[[oxo(3-pyridinyl)methyl]amino]ethyl ester IUPAC Name: 2-(pyridine-3-carbonylamino)ethyl (6E,9E,12E)-octadeca-6,9,12-trienoate Traditional Name: (6E,9E,12E)-octadeca-6,9,12-trienoic acid 2-nicotinamidoethyl ester Formula: C26H38N2O3 MolecularWeight: 426.59152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCC=CCCCCC(=O)OCCNC(=O)C1=CN=CC=C1

Isomeric SMILES

CCCCC/C=C/C/C=C/C/C=C/CCCCC(=O)OCCNC(=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)31-22-21-28-26(30)24-18-17-20-27-23-24/h6-7,9-10,12-13,17-18,20,23H,2-5,8,11,14-16,19,21-22H2,1H3,(H,28,30)/b7-6+,10-9+,13-12+