cyclohexyl (E)-2-(4-cyano-6-methoxy-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl)but-2-enoate

Systemtic Name: cyclohexyl (E)-2-(4-cyano-6-methoxy-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl)but-2-enoate Openeye Name: cyclohexyl (E)-2-(4-cyano-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)but-2-enoate CAS Name: (E)-2-(4-cyano-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-2-butenoic acid cyclohexyl ester IUPAC Name: cyclohexyl (E)-2-(4-cyano-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)but-2-enoate Traditional Name: (E)-2-(4-cyano-3-keto-6-methoxy-7-methyl-phthalan-5-yl)but-2-enoic acid cyclohexyl ester Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C1=C(C(=C2COC(=O)C2=C1C#N)C)OC)C(=O)OC3CCCCC3

Isomeric SMILES

C/C=C(\C1=C(C(=C2COC(=O)C2=C1C#N)C)OC)/C(=O)OC3CCCCC3

InChI

InChI=1S/C21H23NO5/c1-4-14(20(23)27-13-8-6-5-7-9-13)17-15(10-22)18-16(11-26-21(18)24)12(2)19(17)25-3/h4,13H,5-9,11H2,1-3H3/b14-4+