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

Systemtic Name: methyl 3-iodanyl-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-iodo-4-pyrrolidin-1-yl-benzoate CAS Name: 3-iodo-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-iodo-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-iodo-4-pyrrolidino-benzoic acid methyl ester Formula: C12H14INO2 MolecularWeight: 331.14953

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCCC2)I

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCCC2)I

InChI

InChI=1S/C12H14INO2/c1-16-12(15)9-4-5-11(10(13)8-9)14-6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3