2-[4-[3-[[2,3-bis(chloranyl)phenyl]carbamoyl-[2-(2-chloranyl-6-fluoranyl-phenyl)ethyl]amino]propyl]phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[3-[[2,3-bis(chloranyl)phenyl]carbamoyl-[2-(2-chloranyl-6-fluoranyl-phenyl)ethyl]amino]propyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[3-[2-(2-chloro-6-fluoro-phenyl)ethyl-[(2,3-dichlorophenyl)carbamoyl]amino]propyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[3-[2-(2-chloro-6-fluorophenyl)ethyl-[(2,3-dichloroanilino)-oxomethyl]amino]propyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[3-[2-(2-chloro-6-fluorophenyl)ethyl-[(2,3-dichlorophenyl)carbamoyl]amino]propyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[3-[2-(2-chloro-6-fluoro-phenyl)ethyl-[(2,3-dichlorophenyl)carbamoyl]amino]propyl]phenoxy]-2-methyl-propionic acid Formula: C28H28Cl3FN2O4 MolecularWeight: 581.890323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=CC=C(C=C1)CCCN(CCC2=C(C=CC=C2Cl)F)C(=O)NC3=C(C(=CC=C3)Cl)Cl

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=C(C=C1)CCCN(CCC2=C(C=CC=C2Cl)F)C(=O)NC3=C(C(=CC=C3)Cl)Cl

InChI

InChI=1S/C28H28Cl3FN2O4/c1-28(2,26(35)36)38-19-13-11-18(12-14-19)6-5-16-34(17-15-20-21(29)7-3-9-23(20)32)27(37)33-24-10-4-8-22(30)25(24)31/h3-4,7-14H,5-6,15-17H2,1-2H3,(H,33,37)(H,35,36)