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

Systemtic Name: 4-[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]amino]butanoic acid Openeye Name: 4-[[(E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]amino]butanoic acid CAS Name: 4-[[(E)-3-(5-bromo-2-fluorophenyl)-1-oxoprop-2-enyl]amino]butanoic acid IUPAC Name: 4-[[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]amino]butanoic acid Traditional Name: 4-[[(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:

C1=CC(=C(C=C1Br)C=CC(=O)NCCCC(=O)O)F

Isomeric SMILES

C1=CC(=C(C=C1Br)/C=C/C(=O)NCCCC(=O)O)F

InChI

InChI=1S/C13H13BrFNO3/c14-10-4-5-11(15)9(8-10)3-6-12(17)16-7-1-2-13(18)19/h3-6,8H,1-2,7H2,(H,16,17)(H,18,19)/b6-3+