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

Systemtic Name: (Z)-6-(4-isocyanato-7-methyl-3-oxidanylidene-6-prop-2-enyl-1H-2-benzofuran-5-yl)-4-methyl-hex-4-enoic acid Openeye Name: (Z)-6-(6-allyl-4-isocyanato-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoic acid CAS Name: (Z)-6-(4-isocyanato-7-methyl-3-oxo-6-prop-2-enyl-1H-isobenzofuran-5-yl)-4-methyl-4-hexenoic acid IUPAC Name: (Z)-6-(4-isocyanato-7-methyl-3-oxo-6-prop-2-enyl-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid Traditional Name: (Z)-6-(6-allyl-4-isocyanato-3-keto-7-methyl-phthalan-5-yl)-4-methyl-hex-4-enoic acid Formula: C20H21NO5 MolecularWeight: 355.38444

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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)CC=C

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO5/c1-4-5-14-13(3)16-10-26-20(25)18(16)19(21-11-22)15(14)8-6-12(2)7-9-17(23)24/h4,6H,1,5,7-10H2,2-3H3,(H,23,24)/b12-6-