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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CNC3=CC=CC=C32)C(=O)O)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CNC3=CC=CC=C32)C(=O)O)C(=O)O

InChI

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