(Z)-6-(4-isocyanato-6,7-dimethyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-4-methyl-hex-4-enoic acid

Systemtic Name: (Z)-6-(4-isocyanato-6,7-dimethyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-4-methyl-hex-4-enoic acid Openeye Name: (Z)-6-(4-isocyanato-6,7-dimethyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoic acid CAS Name: (Z)-6-(4-isocyanato-6,7-dimethyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-4-hexenoic acid IUPAC Name: (Z)-6-(4-isocyanato-6,7-dimethyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid Traditional Name: (Z)-6-(4-isocyanato-3-keto-6,7-dimethyl-phthalan-5-yl)-4-methyl-hex-4-enoic acid Formula: C18H19NO5 MolecularWeight: 329.34716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)N=C=O)CC=C(C)CCC(=O)O)C

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)N=C=O)C/C=C(/C)\CCC(=O)O)C

InChI

InChI=1S/C18H19NO5/c1-10(5-7-15(21)22)4-6-13-11(2)12(3)14-8-24-18(23)16(14)17(13)19-9-20/h4H,5-8H2,1-3H3,(H,21,22)/b10-4-