1-[(3-iodanylphenyl)carbamoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-iodanylphenyl)carbamoyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-iodophenyl)carbamoyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-iodoanilino)-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-iodophenyl)carbamoyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-iodophenyl)carbamoyl]isonipecotic acid Formula: C13H15IN2O3 MolecularWeight: 374.17427

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)NC2=CC(=CC=C2)I

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)NC2=CC(=CC=C2)I

InChI

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