hexyl 2-[[(1R)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]amino]benzoate

Systemtic Name: hexyl 2-[[(1R)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]amino]benzoate Openeye Name: hexyl 2-[[(1R)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]amino]benzoate CAS Name: 2-[[(1R)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 2-[[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]amino]benzoate Traditional Name: 2-[[(1R)-3-keto-4,5-dimethoxy-phthalan-1-yl]amino]benzoic acid hexyl ester Formula: C23H27NO6 MolecularWeight: 413.46358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=CC=C1NC2C3=C(C(=C(C=C3)OC)OC)C(=O)O2

Isomeric SMILES

CCCCCCOC(=O)C1=CC=CC=C1N[C@H]2C3=C(C(=C(C=C3)OC)OC)C(=O)O2

InChI

InChI=1S/C23H27NO6/c1-4-5-6-9-14-29-22(25)15-10-7-8-11-17(15)24-21-16-12-13-18(27-2)20(28-3)19(16)23(26)30-21/h7-8,10-13,21,24H,4-6,9,14H2,1-3H3/t21-/m1/s1