4-[[4-(2-bromanylethanoylamino)phenyl]methyl]benzoic acid

Systemtic Name: 4-[[4-(2-bromanylethanoylamino)phenyl]methyl]benzoic acid Openeye Name: 4-[[4-[(2-bromoacetyl)amino]phenyl]methyl]benzoic acid CAS Name: 4-[[4-[(2-bromo-1-oxoethyl)amino]phenyl]methyl]benzoic acid IUPAC Name: 4-[[4-[(2-bromoacetyl)amino]phenyl]methyl]benzoic acid Traditional Name: 4-[4-[(2-bromoacetyl)amino]benzyl]benzoic acid Formula: C16H14BrNO3 MolecularWeight: 348.19126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC=C(C=C2)NC(=O)CBr)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC2=CC=C(C=C2)NC(=O)CBr)C(=O)O

InChI

InChI=1S/C16H14BrNO3/c17-10-15(19)18-14-7-3-12(4-8-14)9-11-1-5-13(6-2-11)16(20)21/h1-8H,9-10H2,(H,18,19)(H,20,21)