2-[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]amino]hexanoic acid

Systemtic Name: 2-[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]amino]hexanoic acid Openeye Name: 2-[[(E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]amino]hexanoic acid CAS Name: 2-[[(E)-3-(5-bromo-2-fluorophenyl)-1-oxoprop-2-enyl]amino]hexanoic acid IUPAC Name: 2-[[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]amino]hexanoic acid Traditional Name: 2-[[(E)-3-(5-bromo-2-fluoro-phenyl)acryloyl]amino]hexanoic acid Formula: C15H17BrFNO3 MolecularWeight: 358.202783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C=CC1=C(C=CC(=C1)Br)F

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)/C=C/C1=C(C=CC(=C1)Br)F

InChI

InChI=1S/C15H17BrFNO3/c1-2-3-4-13(15(20)21)18-14(19)8-5-10-9-11(16)6-7-12(10)17/h5-9,13H,2-4H2,1H3,(H,18,19)(H,20,21)/b8-5+