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

Systemtic Name: (Z)-6-[4-isocyanato-6-[(4-methoxyphenyl)methoxymethyl]-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl]-4-methyl-hex-4-enoic acid Openeye Name: (Z)-6-[4-isocyanato-6-[(4-methoxyphenyl)methoxymethyl]-7-methyl-3-oxo-1H-isobenzofuran-5-yl]-4-methyl-hex-4-enoic acid CAS Name: (Z)-6-[4-isocyanato-6-[(4-methoxyphenyl)methoxymethyl]-7-methyl-3-oxo-1H-isobenzofuran-5-yl]-4-methyl-4-hexenoic acid IUPAC Name: (Z)-6-[4-isocyanato-6-[(4-methoxyphenyl)methoxymethyl]-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoic acid Traditional Name: (Z)-6-[4-isocyanato-3-keto-7-methyl-6-(p-anisyloxymethyl)phthalan-5-yl]-4-methyl-hex-4-enoic acid Formula: C26H27NO7 MolecularWeight: 465.49508

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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)COCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)N=C=O)C/C=C(/C)\CCC(=O)O)COCC3=CC=C(C=C3)OC

InChI

InChI=1S/C26H27NO7/c1-16(5-11-23(29)30)4-10-20-21(13-33-12-18-6-8-19(32-3)9-7-18)17(2)22-14-34-26(31)24(22)25(20)27-15-28/h4,6-9H,5,10-14H2,1-3H3,(H,29,30)/b16-4-