[(4,6-dioctoxy-1,3,5-triazin-2-yl)-phenyl-methyl] 2-cyanoethanoate

Systemtic Name: [(4,6-dioctoxy-1,3,5-triazin-2-yl)-phenyl-methyl] 2-cyanoethanoate Openeye Name: [(4,6-dioctoxy-1,3,5-triazin-2-yl)-phenyl-methyl] 2-cyanoacetate CAS Name: 2-cyanoacetic acid [(4,6-dioctoxy-1,3,5-triazin-2-yl)-phenylmethyl] ester IUPAC Name: [(4,6-dioctoxy-1,3,5-triazin-2-yl)-phenylmethyl] 2-cyanoacetate Traditional Name: 2-cyanoacetic acid [(4,6-dioctoxy-s-triazin-2-yl)-phenyl-methyl] ester Formula: C29H42N4O4 MolecularWeight: 510.66818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=NC(=NC(=N1)C(C2=CC=CC=C2)OC(=O)CC#N)OCCCCCCCC

Isomeric SMILES

CCCCCCCCOC1=NC(=NC(=N1)C(C2=CC=CC=C2)OC(=O)CC#N)OCCCCCCCC

InChI

InChI=1S/C29H42N4O4/c1-3-5-7-9-11-16-22-35-28-31-27(32-29(33-28)36-23-17-12-10-8-6-4-2)26(37-25(34)20-21-30)24-18-14-13-15-19-24/h13-15,18-19,26H,3-12,16-17,20,22-23H2,1-2H3