3-bromanyl-2-chloranyl-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid

Systemtic Name: 3-bromanyl-2-chloranyl-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid Openeye Name: 3-bromo-5-(4-tert-butoxycarbonylpiperazin-1-yl)-2-chloro-benzoic acid CAS Name: 3-bromo-2-chloro-5-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]benzoic acid IUPAC Name: 3-bromo-2-chloro-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid Traditional Name: 3-bromo-5-(4-tert-butoxycarbonylpiperazino)-2-chloro-benzoic acid Formula: C16H20BrClN2O4 MolecularWeight: 419.698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrClN2O4/c1-16(2,3)24-15(23)20-6-4-19(5-7-20)10-8-11(14(21)22)13(18)12(17)9-10/h8-9H,4-7H2,1-3H3,(H,21,22)