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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13BrFNO3/c1-8(6-13(18)19)16-12(17)5-2-9-7-10(14)3-4-11(9)15/h2-5,7-8H,6H2,1H3,(H,16,17)(H,18,19)/b5-2+