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

Systemtic Name: 2-[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]amino]pentanoic acid Openeye Name: 2-[[(E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]amino]pentanoic acid CAS Name: 2-[[(E)-3-(5-bromo-2-fluorophenyl)-1-oxoprop-2-enyl]amino]pentanoic acid IUPAC Name: 2-[[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]amino]pentanoic acid Traditional Name: 2-[[(E)-3-(5-bromo-2-fluoro-phenyl)acryloyl]amino]valeric acid Formula: C14H15BrFNO3 MolecularWeight: 344.176203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15BrFNO3/c1-2-3-12(14(19)20)17-13(18)7-4-9-8-10(15)5-6-11(9)16/h4-8,12H,2-3H2,1H3,(H,17,18)(H,19,20)/b7-4+