cyclohexyl (2E)-2-[2-(acetyloxymethyl)-6-(2-methoxyethynyl)pyran-4-ylidene]-2-isocyano-ethanoate

Systemtic Name: cyclohexyl (2E)-2-[2-(acetyloxymethyl)-6-(2-methoxyethynyl)pyran-4-ylidene]-2-isocyano-ethanoate Openeye Name: cyclohexyl (2E)-2-[2-(acetoxymethyl)-6-(2-methoxyethynyl)pyran-4-ylidene]-2-isocyano-acetate CAS Name: (2E)-2-[2-(acetyloxymethyl)-6-(2-methoxyethynyl)-4-pyranylidene]-2-isocyanoacetic acid cyclohexyl ester IUPAC Name: cyclohexyl (2E)-2-[2-(acetyloxymethyl)-6-(2-methoxyethynyl)pyran-4-ylidene]-2-isocyanoacetate Traditional Name: (2E)-2-[2-(acetoxymethyl)-6-(2-methoxyethynyl)pyran-4-ylidene]-2-isocyano-acetic acid cyclohexyl ester Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC(=C(C(=O)OC2CCCCC2)[N+]#[C-])C=C(O1)C#COC

Isomeric SMILES

CC(=O)OCC1=C/C(=C(\C(=O)OC2CCCCC2)/[N+]#[C-])/C=C(O1)C#COC

InChI

InChI=1S/C20H21NO6/c1-14(22)25-13-18-12-15(11-17(26-18)9-10-24-3)19(21-2)20(23)27-16-7-5-4-6-8-16/h11-12,16H,4-8,13H2,1,3H3/b19-15+