methyl 4-[3-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-2-oxidanyl-propoxy]benzoate

Systemtic Name: methyl 4-[3-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 4-[3-[4-(5-bromo-2-pyridyl)piperazin-1-yl]-2-hydroxy-propoxy]benzoate CAS Name: 4-[3-[4-(5-bromo-2-pyridinyl)-1-piperazinyl]-2-hydroxypropoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[4-(5-bromopyridin-2-yl)piperazin-1-yl]-2-hydroxypropoxy]benzoate Traditional Name: 4-[3-[4-(5-bromo-2-pyridyl)piperazino]-2-hydroxy-propoxy]benzoic acid methyl ester Formula: C20H24BrN3O4 MolecularWeight: 450.32626

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=NC=C(C=C3)Br)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=NC=C(C=C3)Br)O

InChI

InChI=1S/C20H24BrN3O4/c1-27-20(26)15-2-5-18(6-3-15)28-14-17(25)13-23-8-10-24(11-9-23)19-7-4-16(21)12-22-19/h2-7,12,17,25H,8-11,13-14H2,1H3