3-[[4-[(2-methoxyphenyl)carbamoylamino]-6-[(2-phenylphenyl)amino]-1,3,5-triazin-2-yl]-[[2-(trifluoromethyl)phenyl]methyl]amino]propanoic acid

Systemtic Name: 3-[[4-[(2-methoxyphenyl)carbamoylamino]-6-[(2-phenylphenyl)amino]-1,3,5-triazin-2-yl]-[[2-(trifluoromethyl)phenyl]methyl]amino]propanoic acid Openeye Name: 3-[[4-[(2-methoxyphenyl)carbamoylamino]-6-(2-phenylanilino)-1,3,5-triazin-2-yl]-[[2-(trifluoromethyl)phenyl]methyl]amino]propanoic acid CAS Name: 3-[[4-[[(2-methoxyanilino)-oxomethyl]amino]-6-(2-phenylanilino)-1,3,5-triazin-2-yl]-[[2-(trifluoromethyl)phenyl]methyl]amino]propanoic acid IUPAC Name: 3-[[4-[(2-methoxyphenyl)carbamoylamino]-6-(2-phenylanilino)-1,3,5-triazin-2-yl]-[[2-(trifluoromethyl)phenyl]methyl]amino]propanoic acid Traditional Name: 3-[[4-[(2-methoxyphenyl)carbamoylamino]-6-(2-phenylanilino)-s-triazin-2-yl]-[2-(trifluoromethyl)benzyl]amino]propionic acid Formula: C34H30F3N7O4 MolecularWeight: 657.64171

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)NC2=NC(=NC(=N2)NC3=CC=CC=C3C4=CC=CC=C4)N(CCC(=O)O)CC5=CC=CC=C5C(F)(F)F

Isomeric SMILES

COC1=CC=CC=C1NC(=O)NC2=NC(=NC(=N2)NC3=CC=CC=C3C4=CC=CC=C4)N(CCC(=O)O)CC5=CC=CC=C5C(F)(F)F

InChI

InChI=1S/C34H30F3N7O4/c1-48-28-18-10-9-17-27(28)39-33(47)43-31-40-30(38-26-16-8-6-14-24(26)22-11-3-2-4-12-22)41-32(42-31)44(20-19-29(45)46)21-23-13-5-7-15-25(23)34(35,36)37/h2-18H,19-21H2,1H3,(H,45,46)(H3,38,39,40,41,42,43,47)