4-[[[(9E,12E)-octadeca-9,12-dienoyl]amino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[[(9E,12E)-octadeca-9,12-dienoyl]amino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[[(9E,12E)-octadeca-9,12-dienoyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[(9E,12E)-1-oxooctadeca-9,12-dienyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[[(9E,12E)-octadeca-9,12-dienoyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[[(9E,12E)-octadeca-9,12-dienoyl]amino]methyl]cyclohexanecarboxylic acid Formula: C26H45NO3 MolecularWeight: 419.6404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)NCC1CCC(CC1)C(=O)O

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(=O)NCC1CCC(CC1)C(=O)O

InChI

InChI=1S/C26H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(28)27-22-23-18-20-24(21-19-23)26(29)30/h6-7,9-10,23-24H,2-5,8,11-22H2,1H3,(H,27,28)(H,29,30)/b7-6+,10-9+