4-bromanyl-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 4-bromanyl-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1-benzofuran-2-carboxylic acid Openeye Name: 4-bromo-5-(4-tert-butoxycarbonylpiperazin-1-yl)benzofuran-2-carboxylic acid CAS Name: 4-bromo-5-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-2-benzofurancarboxylic acid IUPAC Name: 4-bromo-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1-benzofuran-2-carboxylic acid Traditional Name: 4-bromo-5-(4-tert-butoxycarbonylpiperazino)coumarilic acid Formula: C18H21BrN2O5 MolecularWeight: 425.27374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C3=C(C=C2)OC(=C3)C(=O)O)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C3=C(C=C2)OC(=C3)C(=O)O)Br

InChI

InChI=1S/C18H21BrN2O5/c1-18(2,3)26-17(24)21-8-6-20(7-9-21)12-4-5-13-11(15(12)19)10-14(25-13)16(22)23/h4-5,10H,6-9H2,1-3H3,(H,22,23)