1-[1-[1-(carboxymethyl)-6-fluoranyl-indol-3-yl]-2-oxidanyl-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1-[1-(carboxymethyl)-6-fluoranyl-indol-3-yl]-2-oxidanyl-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[1-[1-(carboxymethyl)-6-fluoro-indol-3-yl]-2-hydroxy-2-oxo-ethyl]piperidine-4-carboxylic acid CAS Name: 1-[1-[1-(carboxymethyl)-6-fluoro-3-indolyl]-2-hydroxy-2-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-[1-(carboxymethyl)-6-fluoroindol-3-yl]-2-hydroxy-2-oxoethyl]piperidine-4-carboxylic acid Traditional Name: 1-[1-[1-(carboxymethyl)-6-fluoro-indol-3-yl]-2-hydroxy-2-keto-ethyl]isonipecotic acid Formula: C18H19FN2O6 MolecularWeight: 378.351663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CN(C3=C2C=CC(=C3)F)CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CN(C3=C2C=CC(=C3)F)CC(=O)O)C(=O)O

InChI

InChI=1S/C18H19FN2O6/c19-11-1-2-12-13(8-21(9-15(22)23)14(12)7-11)16(18(26)27)20-5-3-10(4-6-20)17(24)25/h1-2,7-8,10,16H,3-6,9H2,(H,22,23)(H,24,25)(H,26,27)