2-[4-(2-bromanylethanoylamino)-3-(phenylcarbonyl)phenyl]propanoic acid

Systemtic Name: 2-[4-(2-bromanylethanoylamino)-3-(phenylcarbonyl)phenyl]propanoic acid Openeye Name: 2-[3-benzoyl-4-[(2-bromoacetyl)amino]phenyl]propanoic acid CAS Name: 2-[3-benzoyl-4-[(2-bromo-1-oxoethyl)amino]phenyl]propanoic acid IUPAC Name: 2-[3-benzoyl-4-[(2-bromoacetyl)amino]phenyl]propanoic acid Traditional Name: 2-[3-benzoyl-4-[(2-bromoacetyl)amino]phenyl]propionic acid Formula: C18H16BrNO4 MolecularWeight: 390.22794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)NC(=O)CBr)C(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C1=CC(=C(C=C1)NC(=O)CBr)C(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H16BrNO4/c1-11(18(23)24)13-7-8-15(20-16(21)10-19)14(9-13)17(22)12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,20,21)(H,23,24)