4,4-dimethyl-N2-(phenylmethyl)-N6-undecyl-1H-1,3,5-triazine-2,6-diamine; ethanoic acid

Systemtic Name: 4,4-dimethyl-N2-(phenylmethyl)-N6-undecyl-1H-1,3,5-triazine-2,6-diamine; ethanoic acid Openeye Name: acetic acid; N2-benzyl-4,4-dimethyl-N6-undecyl-1H-1,3,5-triazine-2,6-diamine CAS Name: acetic acid; 4,4-dimethyl-N2-(phenylmethyl)-N6-undecyl-1H-1,3,5-triazine-2,6-diamine IUPAC Name: acetic acid; 2-N-benzyl-4,4-dimethyl-6-N-undecyl-1H-1,3,5-triazine-2,6-diamine Traditional Name: acetic acid; benzyl-[4,4-dimethyl-6-(undecylamino)-1H-s-triazin-2-yl]amine Formula: C25H43N5O2 MolecularWeight: 445.64122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCNC1=NC(N=C(N1)NCC2=CC=CC=C2)(C)C.CC(=O)O

Isomeric SMILES

CCCCCCCCCCCNC1=NC(N=C(N1)NCC2=CC=CC=C2)(C)C.CC(=O)O

InChI

InChI=1S/C23H39N5.C2H4O2/c1-4-5-6-7-8-9-10-11-15-18-24-21-26-22(28-23(2,3)27-21)25-19-20-16-13-12-14-17-20;1-2(3)4/h12-14,16-17H,4-11,15,18-19H2,1-3H3,(H3,24,25,26,27,28);1H3,(H,3,4)