1-[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(3-iodoanilino)-2-oxo-ethyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(3-iodoanilino)-2-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(3-iodoanilino)-2-oxoethyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(3-iodoanilino)-2-keto-ethyl]isonipecotic acid Formula: C14H17IN2O3 MolecularWeight: 388.20085

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17IN2O3/c15-11-2-1-3-12(8-11)16-13(18)9-17-6-4-10(5-7-17)14(19)20/h1-3,8,10H,4-7,9H2,(H,16,18)(H,19,20)