pyridin-3-ylmethyl (5E,11E,14E)-icosa-5,11,14-trienoate

Systemtic Name: pyridin-3-ylmethyl (5E,11E,14E)-icosa-5,11,14-trienoate Openeye Name: 3-pyridylmethyl (5E,11E,14E)-icosa-5,11,14-trienoate CAS Name: (5E,11E,14E)-eicosa-5,11,14-trienoic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl (5E,11E,14E)-icosa-5,11,14-trienoate Traditional Name: (5E,11E,14E)-eicosa-5,11,14-trienoic acid 3-pyridylmethyl ester Formula: C26H39NO2 MolecularWeight: 397.59336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCC=CCCCC(=O)OCC1=CN=CC=C1

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCC/C=C/CCCC(=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/h6-7,9-10,15-16,19-20,22-23H,2-5,8,11-14,17-18,21,24H2,1H3/b7-6+,10-9+,16-15+