5-azanyl-3-methyl-7-[(2-methylpropan-2-yl)oxycarbonyl]-4-propoxy-6-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-azanyl-3-methyl-7-[(2-methylpropan-2-yl)oxycarbonyl]-4-propoxy-6-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylic acid Openeye Name: 5-amino-7-tert-butoxycarbonyl-3-methyl-4-propoxy-6-(3-pyridylmethyl)benzofuran-2-carboxylic acid CAS Name: 5-amino-3-methyl-7-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-propoxy-6-(3-pyridinylmethyl)-2-benzofurancarboxylic acid IUPAC Name: 5-amino-3-methyl-7-[(2-methylpropan-2-yl)oxycarbonyl]-4-propoxy-6-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylic acid Traditional Name: 5-amino-7-tert-butoxycarbonyl-3-methyl-4-propoxy-6-(3-pyridylmethyl)coumarilic acid Formula: C24H28N2O6 MolecularWeight: 440.48892

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C(=C(C2=C1C(=C(O2)C(=O)O)C)C(=O)OC(C)(C)C)CC3=CN=CC=C3)N

Isomeric SMILES

CCCOC1=C(C(=C(C2=C1C(=C(O2)C(=O)O)C)C(=O)OC(C)(C)C)CC3=CN=CC=C3)N

InChI

InChI=1S/C24H28N2O6/c1-6-10-30-21-16-13(2)19(22(27)28)31-20(16)17(23(29)32-24(3,4)5)15(18(21)25)11-14-8-7-9-26-12-14/h7-9,12H,6,10-11,25H2,1-5H3,(H,27,28)