(9E,12E,15E)-octadeca-9,12,15-trienoic acid; pyrrolidine-2-carboxylic acid

Systemtic Name: (9E,12E,15E)-octadeca-9,12,15-trienoic acid; pyrrolidine-2-carboxylic acid Openeye Name: (9E,12E,15E)-octadeca-9,12,15-trienoic acid; pyrrolidine-2-carboxylic acid CAS Name: (9E,12E,15E)-octadeca-9,12,15-trienoic acid; 2-pyrrolidinecarboxylic acid IUPAC Name: (9E,12E,15E)-octadeca-9,12,15-trienoic acid; pyrrolidine-2-carboxylic acid Traditional Name: (9E,12E,15E)-octadeca-9,12,15-trienoic acid; proline Formula: C23H39NO4 MolecularWeight: 393.56006

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCC=CCC=CCCCCCCCC(=O)O.C1CC(NC1)C(=O)O

Isomeric SMILES

CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O.C1CC(NC1)C(=O)O

InChI

InChI=1S/C18H30O2.C5H9NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;7-5(8)4-2-1-3-6-4/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20);4,6H,1-3H2,(H,7,8)/b4-3+,7-6+,10-9+;