2-[[4-(2-oxidanyldodecylamino)phenyl]methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[4-(2-oxidanyldodecylamino)phenyl]methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[[4-(2-hydroxydodecylamino)phenyl]methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxo-acetic acid CAS Name: 2-[[4-(2-hydroxydodecylamino)phenyl]methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoacetic acid IUPAC Name: 2-[[4-(2-hydroxydodecylamino)phenyl]methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoacetic acid Traditional Name: 2-[[4-(2-hydroxydodecylamino)benzyl]-[4-(trifluoromethyl)benzyl]amino]-2-keto-acetic acid Formula: C29H39F3N2O4 MolecularWeight: 536.62617

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CNC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)C(F)(F)F)C(=O)C(=O)O)O

Isomeric SMILES

CCCCCCCCCCC(CNC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)C(F)(F)F)C(=O)C(=O)O)O

InChI

InChI=1S/C29H39F3N2O4/c1-2-3-4-5-6-7-8-9-10-26(35)19-33-25-17-13-23(14-18-25)21-34(27(36)28(37)38)20-22-11-15-24(16-12-22)29(30,31)32/h11-18,26,33,35H,2-10,19-21H2,1H3,(H,37,38)