3-[[4-[[bis[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[bis[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[bis[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[bis[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[bis[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[bis[4-(trifluoromethyl)benzyl]amino]methyl]benzoyl]amino]propionic acid Formula: C27H24F6N2O3 MolecularWeight: 538.481479

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(CC2=CC=C(C=C2)C(F)(F)F)CC3=CC=C(C=C3)C(F)(F)F)C(=O)NCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1CN(CC2=CC=C(C=C2)C(F)(F)F)CC3=CC=C(C=C3)C(F)(F)F)C(=O)NCCC(=O)O

InChI

InChI=1S/C27H24F6N2O3/c28-26(29,30)22-9-3-19(4-10-22)16-35(17-20-5-11-23(12-6-20)27(31,32)33)15-18-1-7-21(8-2-18)25(38)34-14-13-24(36)37/h1-12H,13-17H2,(H,34,38)(H,36,37)