4-[[(E)-3-(2-chloranyl-6-fluoranyl-phenyl)prop-2-enoyl]amino]butanoic acid

Systemtic Name: 4-[[(E)-3-(2-chloranyl-6-fluoranyl-phenyl)prop-2-enoyl]amino]butanoic acid Openeye Name: 4-[[(E)-3-(2-chloro-6-fluoro-phenyl)prop-2-enoyl]amino]butanoic acid CAS Name: 4-[[(E)-3-(2-chloro-6-fluorophenyl)-1-oxoprop-2-enyl]amino]butanoic acid IUPAC Name: 4-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]butanoic acid Traditional Name: 4-[[(E)-3-(2-chloro-6-fluoro-phenyl)acryloyl]amino]butyric acid Formula: C13H13ClFNO3 MolecularWeight: 285.698623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClFNO3/c14-10-3-1-4-11(15)9(10)6-7-12(17)16-8-2-5-13(18)19/h1,3-4,6-7H,2,5,8H2,(H,16,17)(H,18,19)/b7-6+