3-bromanyl-4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic acid

Systemtic Name: 3-bromanyl-4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic acid Openeye Name: 3-bromo-4-[(4-tert-butoxycarbonylpiperazin-1-yl)methyl]benzoic acid CAS Name: 3-bromo-4-[[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]methyl]benzoic acid IUPAC Name: 3-bromo-4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic acid Traditional Name: 3-bromo-4-[(4-tert-butoxycarbonylpiperazino)methyl]benzoic acid Formula: C17H23BrN2O4 MolecularWeight: 399.27952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC2=C(C=C(C=C2)C(=O)O)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC2=C(C=C(C=C2)C(=O)O)Br

InChI

InChI=1S/C17H23BrN2O4/c1-17(2,3)24-16(23)20-8-6-19(7-9-20)11-13-5-4-12(15(21)22)10-14(13)18/h4-5,10H,6-9,11H2,1-3H3,(H,21,22)