(4,6-dioctyl-1,3,5-triazin-2-yl)methyl 2-cyanoethanoate

Systemtic Name: (4,6-dioctyl-1,3,5-triazin-2-yl)methyl 2-cyanoethanoate Openeye Name: (4,6-dioctyl-1,3,5-triazin-2-yl)methyl 2-cyanoacetate CAS Name: 2-cyanoacetic acid (4,6-dioctyl-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4,6-dioctyl-1,3,5-triazin-2-yl)methyl 2-cyanoacetate Traditional Name: 2-cyanoacetic acid (4,6-dioctyl-s-triazin-2-yl)methyl ester Formula: C23H38N4O2 MolecularWeight: 402.57342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NC(=NC(=N1)COC(=O)CC#N)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1=NC(=NC(=N1)COC(=O)CC#N)CCCCCCCC

InChI

InChI=1S/C23H38N4O2/c1-3-5-7-9-11-13-15-20-25-21(16-14-12-10-8-6-4-2)27-22(26-20)19-29-23(28)17-18-24/h3-17,19H2,1-2H3