4-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]butanoic acid

Systemtic Name: 4-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]butanoic acid Openeye Name: 4-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]butanoic acid CAS Name: 4-[[(9Z,12Z)-1-oxooctadeca-9,12-dienyl]amino]butanoic acid IUPAC Name: 4-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]butanoic acid Traditional Name: 4-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]butyric acid Formula: C22H39NO3 MolecularWeight: 365.54996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)NCCCC(=O)O

Isomeric SMILES

CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCCC(=O)O

InChI

InChI=1S/C22H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)23-20-17-19-22(25)26/h6-7,9-10H,2-5,8,11-20H2,1H3,(H,23,24)(H,25,26)/b7-6-,10-9-