methyl 3-iodanyl-4-(pyrrolidin-1-ylmethyl)benzoate

Systemtic Name: methyl 3-iodanyl-4-(pyrrolidin-1-ylmethyl)benzoate Openeye Name: methyl 3-iodo-4-(pyrrolidin-1-ylmethyl)benzoate CAS Name: 3-iodo-4-(1-pyrrolidinylmethyl)benzoic acid methyl ester IUPAC Name: methyl 3-iodo-4-(pyrrolidin-1-ylmethyl)benzoate Traditional Name: 3-iodo-4-(pyrrolidinomethyl)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)CN2CCCC2)I

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)CN2CCCC2)I

InChI

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