3-azanyl-3-(4-fluoranylphenoxy)carbonyl-2-[4-(trifluoromethyl)phenyl]hexanoic acid

Systemtic Name: 3-azanyl-3-(4-fluoranylphenoxy)carbonyl-2-[4-(trifluoromethyl)phenyl]hexanoic acid Openeye Name: 3-amino-3-(4-fluorophenoxy)carbonyl-2-[4-(trifluoromethyl)phenyl]hexanoic acid CAS Name: 3-amino-3-[(4-fluorophenoxy)-oxomethyl]-2-[4-(trifluoromethyl)phenyl]hexanoic acid IUPAC Name: 3-amino-3-(4-fluorophenoxy)carbonyl-2-[4-(trifluoromethyl)phenyl]hexanoic acid Traditional Name: 3-amino-3-(4-fluorophenoxy)carbonyl-2-[4-(trifluoromethyl)phenyl]hexanoic acid Formula: C20H19F4NO4 MolecularWeight: 413.362773

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C1=CC=C(C=C1)C(F)(F)F)C(=O)O)(C(=O)OC2=CC=C(C=C2)F)N

Isomeric SMILES

CCCC(C(C1=CC=C(C=C1)C(F)(F)F)C(=O)O)(C(=O)OC2=CC=C(C=C2)F)N

InChI

InChI=1S/C20H19F4NO4/c1-2-11-19(25,18(28)29-15-9-7-14(21)8-10-15)16(17(26)27)12-3-5-13(6-4-12)20(22,23)24/h3-10,16H,2,11,25H2,1H3,(H,26,27)