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

Systemtic Name: 1-[1-(4-carboxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidine-4-carboxylic acid Openeye Name: 1-[1-(4-carboxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]piperidine-4-carboxylic acid CAS Name: 1-[1-(4-carboxyphenyl)-2,5-dioxo-3-pyrrolidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-(4-carboxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid Traditional Name: 1-[1-(4-carboxyphenyl)-2,5-diketo-pyrrolidin-3-yl]isonipecotic acid Formula: C17H18N2O6 MolecularWeight: 346.33462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O6/c20-14-9-13(18-7-5-11(6-8-18)17(24)25)15(21)19(14)12-3-1-10(2-4-12)16(22)23/h1-4,11,13H,5-9H2,(H,22,23)(H,24,25)