methyl 5-iodanyl-2-(4-methylpiperazin-1-yl)benzoate

Systemtic Name: methyl 5-iodanyl-2-(4-methylpiperazin-1-yl)benzoate Openeye Name: methyl 5-iodo-2-(4-methylpiperazin-1-yl)benzoate CAS Name: 5-iodo-2-(4-methyl-1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 5-iodo-2-(4-methylpiperazin-1-yl)benzoate Traditional Name: 5-iodo-2-(4-methylpiperazino)benzoic acid methyl ester Formula: C13H17IN2O2 MolecularWeight: 360.19075

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)I)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)I)C(=O)OC

InChI

InChI=1S/C13H17IN2O2/c1-15-5-7-16(8-6-15)12-4-3-10(14)9-11(12)13(17)18-2/h3-4,9H,5-8H2,1-2H3