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

Systemtic Name: methyl 3-iodanyl-4-(piperazin-1-ylmethyl)benzoate Openeye Name: methyl 3-iodo-4-(piperazin-1-ylmethyl)benzoate CAS Name: 3-iodo-4-(1-piperazinylmethyl)benzoic acid methyl ester IUPAC Name: methyl 3-iodo-4-(piperazin-1-ylmethyl)benzoate Traditional Name: 3-iodo-4-(piperazinomethyl)benzoic acid methyl ester Formula: C13H17IN2O2 MolecularWeight: 360.19075

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)CN2CCNCC2)I

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)CN2CCNCC2)I

InChI

InChI=1S/C13H17IN2O2/c1-18-13(17)10-2-3-11(12(14)8-10)9-16-6-4-15-5-7-16/h2-3,8,15H,4-7,9H2,1H3