4-[(1S)-1-{[5-chloro-2-(4-fluorophenoxy)phenyl]formamido}ethyl]benzoic acid

CAS: 847728-01-2

Formula: C22H17ClFNO4

SMILES: C[C@H](NC(=O)C1=CC(Cl)=CC=C1OC1=CC=C(F)C=C1)C1=CC=C(C=C1)C(O)=O

IUPAC: 4-[(1S)-1-{[5-chloro-2-(4-fluorophenoxy)phenyl]formamido}ethyl]benzoic acid

InChI: InChI=1S/C22H17ClFNO4/c1-13(14-2-4-15(5-3-14)22(27)28)25-21(26)19-12-16(23)6-11-20(19)29-18-9-7-17(24)8-10-18/h2-13H,1H3,(H,25,26)(H,27,28)/t13-/m0/s1

Composition: C (63.85%), H (4.14%), Cl (8.57%), F (4.59%), N (3.38%), O (15.46%)

Molar Mass: 413.83

Atom Count: 46

Heavy Atom Count: 29