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

Systemtic Name: methyl 3-iodanyl-4-piperidin-3-yl-benzoate Openeye Name: methyl 3-iodo-4-(3-piperidyl)benzoate CAS Name: 3-iodo-4-(3-piperidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-iodo-4-piperidin-3-ylbenzoate Traditional Name: 3-iodo-4-(3-piperidyl)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)C2CCCNC2)I

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C2CCCNC2)I

InChI

InChI=1S/C13H16INO2/c1-17-13(16)9-4-5-11(12(14)7-9)10-3-2-6-15-8-10/h4-5,7,10,15H,2-3,6,8H2,1H3