1-[(2-iodanylphenyl)carbamoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2-iodanylphenyl)carbamoyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-iodophenyl)carbamoyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-iodoanilino)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-iodophenyl)carbamoyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-iodophenyl)carbamoyl]nipecotic acid Formula: C13H15IN2O3 MolecularWeight: 374.17427

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)NC2=CC=CC=C2I)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)NC2=CC=CC=C2I)C(=O)O

InChI

InChI=1S/C13H15IN2O3/c14-10-5-1-2-6-11(10)15-13(19)16-7-3-4-9(8-16)12(17)18/h1-2,5-6,9H,3-4,7-8H2,(H,15,19)(H,17,18)