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

Systemtic Name: 2-[2-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1-benzofuran-5-carboxylic acid Openeye Name: 2-(2-tert-butoxycarbonylpiperazin-1-yl)benzofuran-5-carboxylic acid CAS Name: 2-[2-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-5-benzofurancarboxylic acid IUPAC Name: 2-[2-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1-benzofuran-5-carboxylic acid Traditional Name: 2-(2-tert-butoxycarbonylpiperazino)benzofuran-5-carboxylic acid Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CNCCN1C2=CC3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)C1CNCCN1C2=CC3=C(O2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C18H22N2O5/c1-18(2,3)25-17(23)13-10-19-6-7-20(13)15-9-12-8-11(16(21)22)4-5-14(12)24-15/h4-5,8-9,13,19H,6-7,10H2,1-3H3,(H,21,22)