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

Systemtic Name: 2-[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]amino]butanoic acid Openeye Name: 2-[[(E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]amino]butanoic acid CAS Name: 2-[[(E)-3-(5-bromo-2-fluorophenyl)-1-oxoprop-2-enyl]amino]butanoic acid IUPAC Name: 2-[[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]amino]butanoic acid Traditional Name: 2-[[(E)-3-(5-bromo-2-fluoro-phenyl)acryloyl]amino]butyric acid Formula: C13H13BrFNO3 MolecularWeight: 330.149623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13BrFNO3/c1-2-11(13(18)19)16-12(17)6-3-8-7-9(14)4-5-10(8)15/h3-7,11H,2H2,1H3,(H,16,17)(H,18,19)/b6-3+