ethyl 3-[2-[(1S)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[(1S)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[(1S)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]acetyl]amino]benzoate CAS Name: 3-[[2-[(1S)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(1S)-3-keto-4,5-dimethoxy-phthalan-1-yl]acetyl]amino]benzoic acid ethyl ester Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CC2C3=C(C(=C(C=C3)OC)OC)C(=O)O2

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C[C@H]2C3=C(C(=C(C=C3)OC)OC)C(=O)O2

InChI

InChI=1S/C21H21NO7/c1-4-28-20(24)12-6-5-7-13(10-12)22-17(23)11-16-14-8-9-15(26-2)19(27-3)18(14)21(25)29-16/h5-10,16H,4,11H2,1-3H3,(H,22,23)/t16-/m0/s1