3-azanylidene-6-ethoxy-2-[2-(7-ethyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-2-oxidanylidene-ethyl]-1H-isoindole-5-carboxylic acid

Systemtic Name: 3-azanylidene-6-ethoxy-2-[2-(7-ethyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-2-oxidanylidene-ethyl]-1H-isoindole-5-carboxylic acid Openeye Name: 6-ethoxy-2-[2-(7-ethyl-3,3-dimethyl-2H-benzofuran-5-yl)-2-oxo-ethyl]-3-imino-isoindoline-5-carboxylic acid CAS Name: 6-ethoxy-2-[2-(7-ethyl-3,3-dimethyl-2H-benzofuran-5-yl)-2-oxoethyl]-3-imino-1H-isoindole-5-carboxylic acid IUPAC Name: 6-ethoxy-2-[2-(7-ethyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-2-oxoethyl]-3-imino-1H-isoindole-5-carboxylic acid Traditional Name: 6-ethoxy-2-[2-(7-ethyl-3,3-dimethyl-coumaran-5-yl)-2-keto-ethyl]-3-imino-isoindoline-5-carboxylic acid Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC2=C1OCC2(C)C)C(=O)CN3CC4=CC(=C(C=C4C3=N)C(=O)O)OCC

Isomeric SMILES

CCC1=CC(=CC2=C1OCC2(C)C)C(=O)CN3CC4=CC(=C(C=C4C3=N)C(=O)O)OCC

InChI

InChI=1S/C25H28N2O5/c1-5-14-7-15(8-19-22(14)32-13-25(19,3)4)20(28)12-27-11-16-9-21(31-6-2)18(24(29)30)10-17(16)23(27)26/h7-10,26H,5-6,11-13H2,1-4H3,(H,29,30)