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

Systemtic Name: 1-[1-(1H-indol-3-yl)-2-oxidanyl-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-hydroxy-1-(1H-indol-3-yl)-2-oxo-ethyl]piperidine-4-carboxylic acid CAS Name: 1-[2-hydroxy-1-(1H-indol-3-yl)-2-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-hydroxy-1-(1H-indol-3-yl)-2-oxoethyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-hydroxy-1-(1H-indol-3-yl)-2-keto-ethyl]isonipecotic acid Formula: C16H18N2O4 MolecularWeight: 302.32512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CNC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CNC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C16H18N2O4/c19-15(20)10-5-7-18(8-6-10)14(16(21)22)12-9-17-13-4-2-1-3-11(12)13/h1-4,9-10,14,17H,5-8H2,(H,19,20)(H,21,22)