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

Systemtic Name: 5-bromanyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]carbonyl-benzoic acid Openeye Name: 5-bromo-2-(4-tert-butoxycarbonylpiperazine-1-carbonyl)benzoic acid CAS Name: 5-bromo-2-[[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-oxomethyl]benzoic acid IUPAC Name: 5-bromo-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]benzoic acid Traditional Name: 5-bromo-2-(4-tert-butoxycarbonylpiperazine-1-carbonyl)benzoic acid Formula: C17H21BrN2O5 MolecularWeight: 413.26304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21BrN2O5/c1-17(2,3)25-16(24)20-8-6-19(7-9-20)14(21)12-5-4-11(18)10-13(12)15(22)23/h4-5,10H,6-9H2,1-3H3,(H,22,23)