(Z)-4-methyl-6-[7-methyl-4-(methylamino)-3-oxidanylidene-6-pent-2-ynyl-1H-2-benzofuran-5-yl]hex-4-enoic acid

Systemtic Name: (Z)-4-methyl-6-[7-methyl-4-(methylamino)-3-oxidanylidene-6-pent-2-ynyl-1H-2-benzofuran-5-yl]hex-4-enoic acid Openeye Name: (Z)-4-methyl-6-[7-methyl-4-(methylamino)-3-oxo-6-pent-2-ynyl-1H-isobenzofuran-5-yl]hex-4-enoic acid CAS Name: (Z)-4-methyl-6-[7-methyl-4-(methylamino)-3-oxo-6-pent-2-ynyl-1H-isobenzofuran-5-yl]-4-hexenoic acid IUPAC Name: (Z)-4-methyl-6-[7-methyl-4-(methylamino)-3-oxo-6-pent-2-ynyl-1H-2-benzofuran-5-yl]hex-4-enoic acid Traditional Name: (Z)-6-[3-keto-7-methyl-4-(methylamino)-6-pent-2-ynyl-phthalan-5-yl]-4-methyl-hex-4-enoic acid Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCC1=C(C2=C(C(=C1CC=C(C)CCC(=O)O)NC)C(=O)OC2)C

Isomeric SMILES

CCC#CCC1=C(C2=C(C(=C1C/C=C(/C)\CCC(=O)O)NC)C(=O)OC2)C

InChI

InChI=1S/C22H27NO4/c1-5-6-7-8-16-15(3)18-13-27-22(26)20(18)21(23-4)17(16)11-9-14(2)10-12-19(24)25/h9,23H,5,8,10-13H2,1-4H3,(H,24,25)/b14-9-