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

Systemtic Name: 1-[(3R)-1-(4-iodophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidine-4-carboxylic acid Openeye Name: 1-[(3R)-1-(4-iodophenyl)-2,5-dioxo-pyrrolidin-3-yl]piperidine-4-carboxylic acid CAS Name: 1-[(3R)-1-(4-iodophenyl)-2,5-dioxo-3-pyrrolidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3R)-1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid Traditional Name: 1-[(3R)-1-(4-iodophenyl)-2,5-diketo-pyrrolidin-3-yl]isonipecotic acid Formula: C16H17IN2O4 MolecularWeight: 428.22165

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CN(CCC1C(=O)O)[C@@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C16H17IN2O4/c17-11-1-3-12(4-2-11)19-14(20)9-13(15(19)21)18-7-5-10(6-8-18)16(22)23/h1-4,10,13H,5-9H2,(H,22,23)/t13-/m1/s1