5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1-benzofuran-2-carboxylate

Systemtic Name: 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1-benzofuran-2-carboxylate Openeye Name: 5-(4-tert-butoxycarbonylpiperazin-1-yl)benzofuran-2-carboxylate CAS Name: 5-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-2-benzofurancarboxylate IUPAC Name: 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1-benzofuran-2-carboxylate Traditional Name: 5-(4-tert-butoxycarbonylpiperazino)coumarilate Formula: C18H21N2O5- MolecularWeight: 345.36974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(C=C2)OC(=C3)C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(C=C2)OC(=C3)C(=O)[O-]

InChI

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