2-[2-(4-bromophenyl)ethanoylamino]-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: 2-[2-(4-bromophenyl)ethanoylamino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 2-[[2-(4-bromophenyl)acetyl]amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 2-[[2-(4-bromophenyl)-1-oxoethyl]amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 2-[[2-(4-bromophenyl)acetyl]amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 2-[[2-(4-bromophenyl)acetyl]amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C14H14BrN3O3 MolecularWeight: 352.18326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)NC(CC2=CN=CN2)C(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1CC(=O)NC(CC2=CN=CN2)C(=O)O)Br

InChI

InChI=1S/C14H14BrN3O3/c15-10-3-1-9(2-4-10)5-13(19)18-12(14(20)21)6-11-7-16-8-17-11/h1-4,7-8,12H,5-6H2,(H,16,17)(H,18,19)(H,20,21)