methyl 5-bromanyl-2-piperazin-1-yl-benzoate

Systemtic Name: methyl 5-bromanyl-2-piperazin-1-yl-benzoate Openeye Name: methyl 5-bromo-2-piperazin-1-yl-benzoate CAS Name: 5-bromo-2-(1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 5-bromo-2-piperazin-1-ylbenzoate Traditional Name: 5-bromo-2-piperazino-benzoic acid methyl ester Formula: C12H15BrN2O2 MolecularWeight: 299.1637

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15BrN2O2/c1-17-12(16)10-8-9(13)2-3-11(10)15-6-4-14-5-7-15/h2-3,8,14H,4-7H2,1H3