3-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(hydroxymethyl)-4-propoxy-2H-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(hydroxymethyl)-4-propoxy-2H-1-benzofuran-2-carboxylic acid Openeye Name: 3-[tert-butoxycarbonyl(tert-butyl)amino]-3-(hydroxymethyl)-4-propoxy-2H-benzofuran-2-carboxylic acid CAS Name: 3-[tert-butyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(hydroxymethyl)-4-propoxy-2H-benzofuran-2-carboxylic acid IUPAC Name: 3-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(hydroxymethyl)-4-propoxy-2H-1-benzofuran-2-carboxylic acid Traditional Name: 3-[tert-butoxycarbonyl(tert-butyl)amino]-3-methylol-4-propoxy-coumaran-2-carboxylic acid Formula: C22H33NO7 MolecularWeight: 423.49992

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC2=C1C(C(O2)C(=O)O)(CO)N(C(=O)OC(C)(C)C)C(C)(C)C

Isomeric SMILES

CCCOC1=CC=CC2=C1C(C(O2)C(=O)O)(CO)N(C(=O)OC(C)(C)C)C(C)(C)C

InChI

InChI=1S/C22H33NO7/c1-8-12-28-14-10-9-11-15-16(14)22(13-24,17(29-15)18(25)26)23(20(2,3)4)19(27)30-21(5,6)7/h9-11,17,24H,8,12-13H2,1-7H3,(H,25,26)