3-[[5,6-bis(bromanyl)-1H-indol-3-yl]carbonylamino]butanoic acid

Systemtic Name: 3-[[5,6-bis(bromanyl)-1H-indol-3-yl]carbonylamino]butanoic acid Openeye Name: 3-[(5,6-dibromo-1H-indole-3-carbonyl)amino]butanoic acid CAS Name: 3-[[(5,6-dibromo-1H-indol-3-yl)-oxomethyl]amino]butanoic acid IUPAC Name: 3-[(5,6-dibromo-1H-indole-3-carbonyl)amino]butanoic acid Traditional Name: 3-[(5,6-dibromo-1H-indole-3-carbonyl)amino]butyric acid Formula: C13H12Br2N2O3 MolecularWeight: 404.05398

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)C1=CNC2=CC(=C(C=C21)Br)Br

Isomeric SMILES

CC(CC(=O)O)NC(=O)C1=CNC2=CC(=C(C=C21)Br)Br

InChI

InChI=1S/C13H12Br2N2O3/c1-6(2-12(18)19)17-13(20)8-5-16-11-4-10(15)9(14)3-7(8)11/h3-6,16H,2H2,1H3,(H,17,20)(H,18,19)