4-[[4-[(E)-4-(diethylamino)-4-oxidanylidene-but-2-en-2-yl]-2-ethanoyl-1-benzofuran-7-yl]oxy]butanoic acid

Systemtic Name: 4-[[4-[(E)-4-(diethylamino)-4-oxidanylidene-but-2-en-2-yl]-2-ethanoyl-1-benzofuran-7-yl]oxy]butanoic acid Openeye Name: 4-[2-acetyl-4-[(E)-3-(diethylamino)-1-methyl-3-oxo-prop-1-enyl]benzofuran-7-yl]oxybutanoic acid CAS Name: 4-[[2-acetyl-4-[(E)-4-(diethylamino)-4-oxobut-2-en-2-yl]-7-benzofuranyl]oxy]butanoic acid IUPAC Name: 4-[[2-acetyl-4-[(E)-4-(diethylamino)-4-oxobut-2-en-2-yl]-1-benzofuran-7-yl]oxy]butanoic acid Traditional Name: 4-[2-acetyl-4-[(E)-3-(diethylamino)-3-keto-1-methyl-prop-1-enyl]benzofuran-7-yl]oxybutyric acid Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C=C(C)C1=C2C=C(OC2=C(C=C1)OCCCC(=O)O)C(=O)C

Isomeric SMILES

CCN(CC)C(=O)/C=C(\C)/C1=C2C=C(OC2=C(C=C1)OCCCC(=O)O)C(=O)C

InChI

InChI=1S/C22H27NO6/c1-5-23(6-2)20(25)12-14(3)16-9-10-18(28-11-7-8-21(26)27)22-17(16)13-19(29-22)15(4)24/h9-10,12-13H,5-8,11H2,1-4H3,(H,26,27)/b14-12+