ethyl 3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyloxymethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyloxymethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[4-(tert-butoxycarbonylamino)butanoyloxymethyl]benzofuran-2-carboxylate CAS Name: 3-[[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutoxy]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyloxymethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[4-(tert-butoxycarbonylamino)butanoyloxymethyl]coumarilic acid ethyl ester Formula: C21H27NO7 MolecularWeight: 405.44158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)CCCNC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)CCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C21H27NO7/c1-5-26-19(24)18-15(14-9-6-7-10-16(14)28-18)13-27-17(23)11-8-12-22-20(25)29-21(2,3)4/h6-7,9-10H,5,8,11-13H2,1-4H3,(H,22,25)