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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=CC(=O)NCCCC(=O)O)Cl)F

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClFNO3/c14-10-8-9(3-5-11(10)15)4-6-12(17)16-7-1-2-13(18)19/h3-6,8H,1-2,7H2,(H,16,17)(H,18,19)/b6-4+