4-[7-[(E)-4-morpholin-4-yl-4-oxidanylidene-but-2-en-2-yl]-3-phenyl-1-benzofuran-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[7-[(E)-4-morpholin-4-yl-4-oxidanylidene-but-2-en-2-yl]-3-phenyl-1-benzofuran-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[7-[(E)-1-methyl-3-morpholino-3-oxo-prop-1-enyl]-3-phenyl-benzofuran-2-yl]-4-oxo-butanoic acid CAS Name: 4-[7-[(E)-4-(4-morpholinyl)-4-oxobut-2-en-2-yl]-3-phenyl-2-benzofuranyl]-4-oxobutanoic acid IUPAC Name: 4-[7-[(E)-4-morpholin-4-yl-4-oxobut-2-en-2-yl]-3-phenyl-1-benzofuran-2-yl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[7-[(E)-3-keto-1-methyl-3-morpholino-prop-1-enyl]-3-phenyl-benzofuran-2-yl]butyric acid Formula: C26H25NO6 MolecularWeight: 447.4798

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N1CCOCC1)C2=CC=CC3=C2OC(=C3C4=CC=CC=C4)C(=O)CCC(=O)O

Isomeric SMILES

C/C(=C\C(=O)N1CCOCC1)/C2=CC=CC3=C2OC(=C3C4=CC=CC=C4)C(=O)CCC(=O)O

InChI

InChI=1S/C26H25NO6/c1-17(16-22(29)27-12-14-32-15-13-27)19-8-5-9-20-24(18-6-3-2-4-7-18)26(33-25(19)20)21(28)10-11-23(30)31/h2-9,16H,10-15H2,1H3,(H,30,31)/b17-16+