diethyl 2-[(6-acetyloxy-1-oxidanylidene-3H-2-benzofuran-5-yl)methyl]-2-(2-phenylethanoylamino)propanedioate

Systemtic Name: diethyl 2-[(6-acetyloxy-1-oxidanylidene-3H-2-benzofuran-5-yl)methyl]-2-(2-phenylethanoylamino)propanedioate Openeye Name: diethyl 2-[(6-acetoxy-1-oxo-3H-isobenzofuran-5-yl)methyl]-2-[(2-phenylacetyl)amino]propanedioate CAS Name: 2-[(6-acetyloxy-1-oxo-3H-isobenzofuran-5-yl)methyl]-2-[(1-oxo-2-phenylethyl)amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(6-acetyloxy-1-oxo-3H-2-benzofuran-5-yl)methyl]-2-[(2-phenylacetyl)amino]propanedioate Traditional Name: 2-[(6-acetoxy-1-keto-phthalan-5-yl)methyl]-2-[(2-phenylacetyl)amino]malonic acid diethyl ester Formula: C26H27NO9 MolecularWeight: 497.49388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=C(C=C2C(=C1)COC2=O)OC(=O)C)(C(=O)OCC)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(CC1=C(C=C2C(=C1)COC2=O)OC(=O)C)(C(=O)OCC)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C26H27NO9/c1-4-33-24(31)26(25(32)34-5-2,27-22(29)11-17-9-7-6-8-10-17)14-18-12-19-15-35-23(30)20(19)13-21(18)36-16(3)28/h6-10,12-13H,4-5,11,14-15H2,1-3H3,(H,27,29)