2-[4-acetamido-2-[(4-bromanyl-2-fluoranyl-phenyl)methylcarbamoyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-acetamido-2-[(4-bromanyl-2-fluoranyl-phenyl)methylcarbamoyl]phenoxy]ethanoic acid Openeye Name: 2-[4-acetamido-2-[(4-bromo-2-fluoro-phenyl)methylcarbamoyl]phenoxy]acetic acid CAS Name: 2-[4-acetamido-2-[[(4-bromo-2-fluorophenyl)methylamino]-oxomethyl]phenoxy]acetic acid IUPAC Name: 2-[4-acetamido-2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]phenoxy]acetic acid Traditional Name: 2-[4-acetamido-2-[(4-bromo-2-fluoro-benzyl)carbamoyl]phenoxy]acetic acid Formula: C18H16BrFN2O5 MolecularWeight: 439.232443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OCC(=O)O)C(=O)NCC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OCC(=O)O)C(=O)NCC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C18H16BrFN2O5/c1-10(23)22-13-4-5-16(27-9-17(24)25)14(7-13)18(26)21-8-11-2-3-12(19)6-15(11)20/h2-7H,8-9H2,1H3,(H,21,26)(H,22,23)(H,24,25)