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

Systemtic Name: 2-[[(9Z,12E)-octadeca-9,12-dienoyl]amino]ethanoic acid Openeye Name: 2-[[(9Z,12E)-octadeca-9,12-dienoyl]amino]acetic acid CAS Name: 2-[[(9Z,12E)-1-oxooctadeca-9,12-dienyl]amino]acetic acid IUPAC Name: 2-[[(9Z,12E)-octadeca-9,12-dienoyl]amino]acetic acid Traditional Name: 2-[[(9Z,12E)-octadeca-9,12-dienoyl]amino]acetic acid Formula: C20H35NO3 MolecularWeight: 337.4968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)NCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)21-18-20(23)24/h6-7,9-10H,2-5,8,11-18H2,1H3,(H,21,22)(H,23,24)/b7-6+,10-9-