(2S)-3-(5-bromanyl-1H-indol-3-yl)-2-(dimethylamino)propanoic acid

Systemtic Name: (2S)-3-(5-bromanyl-1H-indol-3-yl)-2-(dimethylamino)propanoic acid Openeye Name: (2S)-3-(5-bromo-1H-indol-3-yl)-2-(dimethylamino)propanoic acid CAS Name: (2S)-3-(5-bromo-1H-indol-3-yl)-2-(dimethylamino)propanoic acid IUPAC Name: (2S)-3-(5-bromo-1H-indol-3-yl)-2-(dimethylamino)propanoic acid Traditional Name: (2S)-3-(5-bromo-1H-indol-3-yl)-2-(dimethylamino)propionic acid Formula: C13H15BrN2O2 MolecularWeight: 311.1744

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CC1=CNC2=C1C=C(C=C2)Br)C(=O)O

Isomeric SMILES

CN(C)[C@@H](CC1=CNC2=C1C=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C13H15BrN2O2/c1-16(2)12(13(17)18)5-8-7-15-11-4-3-9(14)6-10(8)11/h3-4,6-7,12,15H,5H2,1-2H3,(H,17,18)/t12-/m0/s1