2-[methyl-[(9E,12E)-octadeca-9,12-dienoyl]amino]ethanoic acid

Systemtic Name: 2-[methyl-[(9E,12E)-octadeca-9,12-dienoyl]amino]ethanoic acid Openeye Name: 2-[methyl-[(9E,12E)-octadeca-9,12-dienoyl]amino]acetic acid CAS Name: 2-[methyl-[(9E,12E)-1-oxooctadeca-9,12-dienyl]amino]acetic acid IUPAC Name: 2-[methyl-[(9E,12E)-octadeca-9,12-dienoyl]amino]acetic acid Traditional Name: 2-[methyl-[(9E,12E)-octadeca-9,12-dienoyl]amino]acetic acid Formula: C21H37NO3 MolecularWeight: 351.52338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)N(C)CC(=O)O

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(=O)N(C)CC(=O)O

InChI

InChI=1S/C21H37NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25/h7-8,10-11H,3-6,9,12-19H2,1-2H3,(H,24,25)/b8-7+,11-10+