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

Systemtic Name: (Z)-6-(6-cyclopropyl-4-isocyanato-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-4-methyl-hex-4-enoic acid Openeye Name: (Z)-6-(6-cyclopropyl-4-isocyanato-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoic acid CAS Name: (Z)-6-(6-cyclopropyl-4-isocyanato-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-4-hexenoic acid IUPAC Name: (Z)-6-(6-cyclopropyl-4-isocyanato-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid Traditional Name: (Z)-6-(6-cyclopropyl-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)C3CC3

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)N=C=O)C/C=C(/C)\CCC(=O)O)C3CC3

InChI

InChI=1S/C20H21NO5/c1-11(4-8-16(23)24)3-7-14-17(13-5-6-13)12(2)15-9-26-20(25)18(15)19(14)21-10-22/h3,13H,4-9H2,1-2H3,(H,23,24)/b11-3-