2-[(2E)-2-[2-(4-cyano-6-methoxy-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl)ethylidene]cyclohexyl]ethanoate

Systemtic Name: 2-[(2E)-2-[2-(4-cyano-6-methoxy-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl)ethylidene]cyclohexyl]ethanoate Openeye Name: 2-[(2E)-2-[2-(4-cyano-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)ethylidene]cyclohexyl]acetate CAS Name: 2-[(2E)-2-[2-(4-cyano-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)ethylidene]cyclohexyl]acetate IUPAC Name: 2-[(2E)-2-[2-(4-cyano-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)ethylidene]cyclohexyl]acetate Traditional Name: 2-[(2E)-2-[2-(4-cyano-3-keto-6-methoxy-7-methyl-phthalan-5-yl)ethylidene]cyclohexyl]acetate Formula: C21H22NO5- MolecularWeight: 368.40308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2COC(=O)C2=C(C(=C1OC)CC=C3CCCCC3CC(=O)[O-])C#N

Isomeric SMILES

CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C/3\CCCCC3CC(=O)[O-])C#N

InChI

InChI=1S/C21H23NO5/c1-12-17-11-27-21(25)19(17)16(10-22)15(20(12)26-2)8-7-13-5-3-4-6-14(13)9-18(23)24/h7,14H,3-6,8-9,11H2,1-2H3,(H,23,24)/p-1/b13-7+