(9E,12E)-2-(2-azanyl-3-methyl-butan-2-yl)octadeca-9,12-dienoic acid

Systemtic Name: (9E,12E)-2-(2-azanyl-3-methyl-butan-2-yl)octadeca-9,12-dienoic acid Openeye Name: (9E,12E)-2-(1-amino-1,2-dimethyl-propyl)octadeca-9,12-dienoic acid CAS Name: (9E,12E)-2-(2-amino-3-methylbutan-2-yl)octadeca-9,12-dienoic acid IUPAC Name: (9E,12E)-2-(2-amino-3-methylbutan-2-yl)octadeca-9,12-dienoic acid Traditional Name: (9E,12E)-2-(1-amino-1,2-dimethyl-propyl)octadeca-9,12-dienoic acid Formula: C23H43NO2 MolecularWeight: 365.59302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCC(C(=O)O)C(C)(C(C)C)N

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCC(C(=O)O)C(C)(C(C)C)N

InChI

InChI=1S/C23H43NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22(25)26)23(4,24)20(2)3/h9-10,12-13,20-21H,5-8,11,14-19,24H2,1-4H3,(H,25,26)/b10-9+,13-12+