4-[[5,6-bis(bromanyl)-1H-indol-3-yl]carbonylamino]butanoic acid

Systemtic Name: 4-[[5,6-bis(bromanyl)-1H-indol-3-yl]carbonylamino]butanoic acid Openeye Name: 4-[(5,6-dibromo-1H-indole-3-carbonyl)amino]butanoic acid CAS Name: 4-[[(5,6-dibromo-1H-indol-3-yl)-oxomethyl]amino]butanoic acid IUPAC Name: 4-[(5,6-dibromo-1H-indole-3-carbonyl)amino]butanoic acid Traditional Name: 4-[(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:

C1=C2C(=CC(=C1Br)Br)NC=C2C(=O)NCCCC(=O)O

Isomeric SMILES

C1=C2C(=CC(=C1Br)Br)NC=C2C(=O)NCCCC(=O)O

InChI

InChI=1S/C13H12Br2N2O3/c14-9-4-7-8(6-17-11(7)5-10(9)15)13(20)16-3-1-2-12(18)19/h4-6,17H,1-3H2,(H,16,20)(H,18,19)