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

Systemtic Name: 2-[(2E)-2-[2-(4-isocyanato-6-methoxy-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl)ethylidene]cyclohexyl]ethanoic acid Openeye Name: 2-[(2E)-2-[2-(4-isocyanato-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)ethylidene]cyclohexyl]acetic acid CAS Name: 2-[(2E)-2-[2-(4-isocyanato-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)ethylidene]cyclohexyl]acetic acid IUPAC Name: 2-[(2E)-2-[2-(4-isocyanato-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)ethylidene]cyclohexyl]acetic acid Traditional Name: 2-[(2E)-2-[2-(4-isocyanato-3-keto-6-methoxy-7-methyl-phthalan-5-yl)ethylidene]cyclohexyl]acetic acid Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)N=C=O)CC=C3CCCCC3CC(=O)O)OC

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)N=C=O)C/C=C/3\CCCCC3CC(=O)O)OC

InChI

InChI=1S/C21H23NO6/c1-12-16-10-28-21(26)18(16)19(22-11-23)15(20(12)27-2)8-7-13-5-3-4-6-14(13)9-17(24)25/h7,14H,3-6,8-10H2,1-2H3,(H,24,25)/b13-7+