[2-(1-acetyloxy-3-oxidanylidene-2-benzofuran-1-yl)-5-(dimethylamino)-4-methyl-phenyl] ethanoate

Systemtic Name: [2-(1-acetyloxy-3-oxidanylidene-2-benzofuran-1-yl)-5-(dimethylamino)-4-methyl-phenyl] ethanoate Openeye Name: [2-(1-acetoxy-3-oxo-isobenzofuran-1-yl)-5-(dimethylamino)-4-methyl-phenyl] acetate CAS Name: acetic acid [2-(1-acetyloxy-3-oxo-1-isobenzofuranyl)-5-(dimethylamino)-4-methylphenyl] ester IUPAC Name: [2-(1-acetyloxy-3-oxo-2-benzofuran-1-yl)-5-(dimethylamino)-4-methylphenyl] acetate Traditional Name: acetic acid [2-(1-acetoxy-3-keto-phthalan-1-yl)-5-(dimethylamino)-4-methyl-phenyl] ester Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C2(C3=CC=CC=C3C(=O)O2)OC(=O)C)OC(=O)C)N(C)C

Isomeric SMILES

CC1=C(C=C(C(=C1)C2(C3=CC=CC=C3C(=O)O2)OC(=O)C)OC(=O)C)N(C)C

InChI

InChI=1S/C21H21NO6/c1-12-10-17(19(26-13(2)23)11-18(12)22(4)5)21(27-14(3)24)16-9-7-6-8-15(16)20(25)28-21/h6-11H,1-5H3