2-[[(9E,12E)-octadeca-9,12-dienyl]amino]butanoic acid

Systemtic Name: 2-[[(9E,12E)-octadeca-9,12-dienyl]amino]butanoic acid Openeye Name: 2-[[(9E,12E)-octadeca-9,12-dienyl]amino]butanoic acid CAS Name: 2-[[(9E,12E)-octadeca-9,12-dienyl]amino]butanoic acid IUPAC Name: 2-[[(9E,12E)-octadeca-9,12-dienyl]amino]butanoic acid Traditional Name: 2-[[(9E,12E)-octadeca-9,12-dienyl]amino]butyric acid Formula: C22H41NO2 MolecularWeight: 351.56644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCCNC(CC)C(=O)O

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCCNC(CC)C(=O)O

InChI

InChI=1S/C22H41NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21(4-2)22(24)25/h8-9,11-12,21,23H,3-7,10,13-20H2,1-2H3,(H,24,25)/b9-8+,12-11+