1-(5-chloranyl-4-iodanyl-2-methoxy-phenyl)carbonylpiperidine-3-carboxylic acid

Systemtic Name: 1-(5-chloranyl-4-iodanyl-2-methoxy-phenyl)carbonylpiperidine-3-carboxylic acid Openeye Name: 1-(5-chloro-4-iodo-2-methoxy-benzoyl)piperidine-3-carboxylic acid CAS Name: 1-[(5-chloro-4-iodo-2-methoxyphenyl)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(5-chloro-4-iodo-2-methoxybenzoyl)piperidine-3-carboxylic acid Traditional Name: 1-(5-chloro-4-iodo-2-methoxy-benzoyl)nipecotic acid Formula: C14H15ClINO4 MolecularWeight: 423.63067

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)N2CCCC(C2)C(=O)O)Cl)I

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)N2CCCC(C2)C(=O)O)Cl)I

InChI

InChI=1S/C14H15ClINO4/c1-21-12-6-11(16)10(15)5-9(12)13(18)17-4-2-3-8(7-17)14(19)20/h5-6,8H,2-4,7H2,1H3,(H,19,20)