1-[2,5-bis(oxidanylidene)-1-phenethyl-pyrrolidin-3-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2,5-bis(oxidanylidene)-1-phenethyl-pyrrolidin-3-yl]piperidine-4-carboxylic acid Openeye Name: 1-(2,5-dioxo-1-phenethyl-pyrrolidin-3-yl)piperidine-4-carboxylic acid CAS Name: 1-(2,5-dioxo-1-phenethyl-3-pyrrolidinyl)-4-piperidinecarboxylic acid IUPAC Name: 1-(2,5-dioxo-1-phenethylpyrrolidin-3-yl)piperidine-4-carboxylic acid Traditional Name: 1-(2,5-diketo-1-phenethyl-pyrrolidin-3-yl)isonipecotic acid Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2CC(=O)N(C2=O)CCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)O)C2CC(=O)N(C2=O)CCC3=CC=CC=C3

InChI

InChI=1S/C18H22N2O4/c21-16-12-15(19-9-7-14(8-10-19)18(23)24)17(22)20(16)11-6-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2,(H,23,24)