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

Systemtic Name: 2-[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]amino]-3,3-dimethyl-butanoic acid Openeye Name: 2-[[(E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]amino]-3,3-dimethyl-butanoic acid CAS Name: 2-[[(E)-3-(5-bromo-2-fluorophenyl)-1-oxoprop-2-enyl]amino]-3,3-dimethylbutanoic acid IUPAC Name: 2-[[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]amino]-3,3-dimethylbutanoic acid Traditional Name: 2-[[(E)-3-(5-bromo-2-fluoro-phenyl)acryloyl]amino]-3,3-dimethyl-butyric acid Formula: C15H17BrFNO3 MolecularWeight: 358.202783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17BrFNO3/c1-15(2,3)13(14(20)21)18-12(19)7-4-9-8-10(16)5-6-11(9)17/h4-8,13H,1-3H3,(H,18,19)(H,20,21)/b7-4+