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

Systemtic Name: methyl 3-iodanyl-4-piperazin-1-yl-benzoate Openeye Name: methyl 3-iodo-4-piperazin-1-yl-benzoate CAS Name: 3-iodo-4-(1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 3-iodo-4-piperazin-1-ylbenzoate Traditional Name: 3-iodo-4-piperazino-benzoic acid methyl ester Formula: C12H15IN2O2 MolecularWeight: 346.16417

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCNCC2)I

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCNCC2)I

InChI

InChI=1S/C12H15IN2O2/c1-17-12(16)9-2-3-11(10(13)8-9)15-6-4-14-5-7-15/h2-3,8,14H,4-7H2,1H3