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

Systemtic Name: (Z)-6-(4-cyano-6,7-dimethyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-4-methyl-hex-4-enoic acid Openeye Name: (Z)-6-(4-cyano-6,7-dimethyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoic acid CAS Name: (Z)-6-(4-cyano-6,7-dimethyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-4-hexenoic acid IUPAC Name: (Z)-6-(4-cyano-6,7-dimethyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid Traditional Name: (Z)-6-(4-cyano-3-keto-6,7-dimethyl-phthalan-5-yl)-4-methyl-hex-4-enoic acid Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2COC(=O)C2=C(C(=C1C)CC=C(C)CCC(=O)O)C#N

Isomeric SMILES

CC1=C2COC(=O)C2=C(C(=C1C)C/C=C(/C)\CCC(=O)O)C#N

InChI

InChI=1S/C18H19NO4/c1-10(5-7-16(20)21)4-6-13-11(2)12(3)15-9-23-18(22)17(15)14(13)8-19/h4H,5-7,9H2,1-3H3,(H,20,21)/b10-4-