1-[1-(5-bromanyl-1H-indol-3-yl)-2-oxidanyl-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1-(5-bromanyl-1H-indol-3-yl)-2-oxidanyl-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[1-(5-bromo-1H-indol-3-yl)-2-hydroxy-2-oxo-ethyl]piperidine-4-carboxylic acid CAS Name: 1-[1-(5-bromo-1H-indol-3-yl)-2-hydroxy-2-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-(5-bromo-1H-indol-3-yl)-2-hydroxy-2-oxoethyl]piperidine-4-carboxylic acid Traditional Name: 1-[1-(5-bromo-1H-indol-3-yl)-2-hydroxy-2-keto-ethyl]isonipecotic acid Formula: C16H17BrN2O4 MolecularWeight: 381.22118

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CNC3=C2C=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CNC3=C2C=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C16H17BrN2O4/c17-10-1-2-13-11(7-10)12(8-18-13)14(16(22)23)19-5-3-9(4-6-19)15(20)21/h1-2,7-9,14,18H,3-6H2,(H,20,21)(H,22,23)