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

Systemtic Name: (E,2S)-6-(4-isocyanato-6-methoxy-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-2,4-dimethyl-hex-4-enoic acid Openeye Name: (E,2S)-6-(4-isocyanato-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-2,4-dimethyl-hex-4-enoic acid CAS Name: (E,2S)-6-(4-isocyanato-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-2,4-dimethyl-4-hexenoic acid IUPAC Name: (E,2S)-6-(4-isocyanato-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2,4-dimethylhex-4-enoic acid Traditional Name: (E,2S)-6-(4-isocyanato-3-keto-6-methoxy-7-methyl-phthalan-5-yl)-2,4-dimethyl-hex-4-enoic acid Formula: C19H21NO6 MolecularWeight: 359.37314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)N=C=O)C/C=C(\C)/C[C@H](C)C(=O)O)OC

InChI

InChI=1S/C19H21NO6/c1-10(7-11(2)18(22)23)5-6-13-16(20-9-21)15-14(8-26-19(15)24)12(3)17(13)25-4/h5,11H,6-8H2,1-4H3,(H,22,23)/b10-5+/t11-/m0/s1