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

Systemtic Name: 1-[1-[1-(2-carboxyethyl)-6-fluoranyl-indol-3-yl]-2-oxidanyl-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[1-[1-(2-carboxyethyl)-6-fluoro-indol-3-yl]-2-hydroxy-2-oxo-ethyl]piperidine-3-carboxylic acid CAS Name: 1-[1-[1-(2-carboxyethyl)-6-fluoro-3-indolyl]-2-hydroxy-2-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-[1-(2-carboxyethyl)-6-fluoroindol-3-yl]-2-hydroxy-2-oxoethyl]piperidine-3-carboxylic acid Traditional Name: 1-[1-[1-(2-carboxyethyl)-6-fluoro-indol-3-yl]-2-hydroxy-2-keto-ethyl]nipecotic acid Formula: C19H21FN2O6 MolecularWeight: 392.378243

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CN(C3=C2C=CC(=C3)F)CCC(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CN(C3=C2C=CC(=C3)F)CCC(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C19H21FN2O6/c20-12-3-4-13-14(10-21(15(13)8-12)7-5-16(23)24)17(19(27)28)22-6-1-2-11(9-22)18(25)26/h3-4,8,10-11,17H,1-2,5-7,9H2,(H,23,24)(H,25,26)(H,27,28)