6-oxidanylidene-1-(2,3,4,5,6-pentadeuteriophenyl)piperidine-3-carboxylic acid

Systemtic Name: 6-oxidanylidene-1-(2,3,4,5,6-pentadeuteriophenyl)piperidine-3-carboxylic acid Openeye Name: 6-oxo-1-(2,3,4,5,6-pentadeuteriophenyl)piperidine-3-carboxylic acid CAS Name: 6-oxo-1-(2,3,4,5,6-pentadeuteriophenyl)-3-piperidinecarboxylic acid IUPAC Name: 6-oxo-1-(2,3,4,5,6-pentadeuteriophenyl)piperidine-3-carboxylic acid Traditional Name: 6-keto-1-(2,3,4,5,6-pentadeuteriophenyl)nipecotic acid Formula: C12H13NO3 MolecularWeight: 224.267329

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CC1C(=O)O)C2=CC=CC=C2

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])N2CC(CCC2=O)C(=O)O)[2H])[2H]

InChI

InChI=1S/C12H13NO3/c14-11-7-6-9(12(15)16)8-13(11)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,15,16)/i1D,2D,3D,4D,5D