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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15BrFNO3/c1-8(2)13(14(19)20)17-12(18)6-3-9-7-10(15)4-5-11(9)16/h3-8,13H,1-2H3,(H,17,18)(H,19,20)/b6-3+