(Z)-6-(4-cyano-7-methyl-3-oxidanylidene-6-pent-2-ynyl-1H-2-benzofuran-5-yl)-4-methyl-hex-4-enoate

Systemtic Name: (Z)-6-(4-cyano-7-methyl-3-oxidanylidene-6-pent-2-ynyl-1H-2-benzofuran-5-yl)-4-methyl-hex-4-enoate Openeye Name: (Z)-6-(4-cyano-7-methyl-3-oxo-6-pent-2-ynyl-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoate CAS Name: (Z)-6-(4-cyano-7-methyl-3-oxo-6-pent-2-ynyl-1H-isobenzofuran-5-yl)-4-methyl-4-hexenoate IUPAC Name: (Z)-6-(4-cyano-7-methyl-3-oxo-6-pent-2-ynyl-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate Traditional Name: (Z)-6-(4-cyano-3-keto-7-methyl-6-pent-2-ynyl-phthalan-5-yl)-4-methyl-hex-4-enoate Formula: C22H22NO4- MolecularWeight: 364.41438

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCC1=C(C(=C2C(=C1C)COC2=O)C#N)CC=C(C)CCC(=O)[O-]

Isomeric SMILES

CCC#CCC1=C(C(=C2C(=C1C)COC2=O)C#N)C/C=C(/C)\CCC(=O)[O-]

InChI

InChI=1S/C22H23NO4/c1-4-5-6-7-16-15(3)19-13-27-22(26)21(19)18(12-23)17(16)10-8-14(2)9-11-20(24)25/h8H,4,7,9-11,13H2,1-3H3,(H,24,25)/p-1/b14-8-