methyl 3-iodanyl-4-piperidin-1-yl-benzoate

Systemtic Name: methyl 3-iodanyl-4-piperidin-1-yl-benzoate Openeye Name: methyl 3-iodo-4-(1-piperidyl)benzoate CAS Name: 3-iodo-4-(1-piperidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-iodo-4-piperidin-1-ylbenzoate Traditional Name: 3-iodo-4-piperidino-benzoic acid methyl ester Formula: C13H16INO2 MolecularWeight: 345.17611

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCCCC2)I

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCCCC2)I

InChI

InChI=1S/C13H16INO2/c1-17-13(16)10-5-6-12(11(14)9-10)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3