pyridin-3-ylmethyl (11E,14E,17E)-icosa-11,14,17-trienoate

Systemtic Name: pyridin-3-ylmethyl (11E,14E,17E)-icosa-11,14,17-trienoate Openeye Name: 3-pyridylmethyl (11E,14E,17E)-icosa-11,14,17-trienoate CAS Name: (11E,14E,17E)-eicosa-11,14,17-trienoic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl (11E,14E,17E)-icosa-11,14,17-trienoate Traditional Name: (11E,14E,17E)-eicosa-11,14,17-trienoic acid 3-pyridylmethyl ester Formula: C26H39NO2 MolecularWeight: 397.59336

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCC=CCC=CCCCCCCCCCC(=O)OCC1=CN=CC=C1

Isomeric SMILES

CC/C=C/C/C=C/C/C=C/CCCCCCCCCC(=O)OCC1=CN=CC=C1

InChI

InChI=1S/C26H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26(28)29-24-25-20-19-22-27-23-25/h3-4,6-7,9-10,19-20,22-23H,2,5,8,11-18,21,24H2,1H3/b4-3+,7-6+,10-9+