3-[(4-bromophenyl)methyl-fluoranyl-amino]-2-(3-fluoranyl-4-methyl-phenoxy)-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[(4-bromophenyl)methyl-fluoranyl-amino]-2-(3-fluoranyl-4-methyl-phenoxy)-3-oxidanylidene-propanoic acid Openeye Name: 3-[(4-bromophenyl)methyl-fluoro-amino]-2-(3-fluoro-4-methyl-phenoxy)-3-oxo-propanoic acid CAS Name: 3-[(4-bromophenyl)methyl-fluoroamino]-2-(3-fluoro-4-methylphenoxy)-3-oxopropanoic acid IUPAC Name: 3-[(4-bromophenyl)methyl-fluoroamino]-2-(3-fluoro-4-methylphenoxy)-3-oxopropanoic acid Traditional Name: 3-[(4-bromobenzyl)-fluoro-amino]-2-(3-fluoro-4-methyl-phenoxy)-3-keto-propionic acid Formula: C17H14BrF2NO4 MolecularWeight: 414.198166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(C(=O)N(CC2=CC=C(C=C2)Br)F)C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1)OC(C(=O)N(CC2=CC=C(C=C2)Br)F)C(=O)O)F

InChI

InChI=1S/C17H14BrF2NO4/c1-10-2-7-13(8-14(10)19)25-15(17(23)24)16(22)21(20)9-11-3-5-12(18)6-4-11/h2-8,15H,9H2,1H3,(H,23,24)