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

Systemtic Name: cyclohexyl (E)-2-(4-isocyanato-6-methoxy-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl)but-2-enoate Openeye Name: cyclohexyl (E)-2-(4-isocyanato-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)but-2-enoate CAS Name: (E)-2-(4-isocyanato-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-2-butenoic acid cyclohexyl ester IUPAC Name: cyclohexyl (E)-2-(4-isocyanato-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)but-2-enoate Traditional Name: (E)-2-(4-isocyanato-3-keto-6-methoxy-7-methyl-phthalan-5-yl)but-2-enoic acid cyclohexyl ester Formula: C21H23NO6 MolecularWeight: 385.41042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=C(C1=C(C2=C(COC2=O)C(=C1OC)C)N=C=O)C(=O)OC3CCCCC3

Isomeric SMILES

C/C=C(\C1=C(C2=C(COC2=O)C(=C1OC)C)N=C=O)/C(=O)OC3CCCCC3

InChI

InChI=1S/C21H23NO6/c1-4-14(20(24)28-13-8-6-5-7-9-13)16-18(22-11-23)17-15(10-27-21(17)25)12(2)19(16)26-3/h4,13H,5-10H2,1-3H3/b14-4+