2-[carbamimidoyl(methyl)amino]ethanoyl (9Z,12Z)-octadeca-9,12-dienoate

Systemtic Name: 2-[carbamimidoyl(methyl)amino]ethanoyl (9Z,12Z)-octadeca-9,12-dienoate Openeye Name: [2-[carbamimidoyl(methyl)amino]acetyl] (9Z,12Z)-octadeca-9,12-dienoate CAS Name: (9Z,12Z)-octadeca-9,12-dienoic acid [2-[carbamimidoyl(methyl)amino]-1-oxoethyl] ester IUPAC Name: [2-[carbamimidoyl(methyl)amino]acetyl] (9Z,12Z)-octadeca-9,12-dienoate Traditional Name: (9Z,12Z)-octadeca-9,12-dienoic acid [2-[amidino(methyl)amino]acetyl] ester Formula: C22H39N3O3 MolecularWeight: 393.56336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)OC(=O)CN(C)C(=N)N

Isomeric SMILES

CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(=O)CN(C)C(=N)N

InChI

InChI=1S/C22H39N3O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(26)28-21(27)19-25(2)22(23)24/h7-8,10-11H,3-6,9,12-19H2,1-2H3,(H3,23,24)/b8-7-,11-10-