(E)-2-(1H-benzimidazol-2-yl)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-morpholin-4-yl-prop-2-en-1-one

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-morpholin-4-yl-prop-2-en-1-one Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-1-morpholino-prop-2-en-1-one CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-1-(4-morpholinyl)-2-propen-1-one IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-morpholin-4-ylprop-2-en-1-one Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]-1-morpholino-prop-2-en-1-one Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1C=C(C3=NC4=CC=CC=C4N3)C(=O)N5CCOCC5)OC(C2)C

Isomeric SMILES

CCOC1=CC2=C(C=C1/C=C(\C3=NC4=CC=CC=C4N3)/C(=O)N5CCOCC5)O[C@H](C2)C

InChI

InChI=1S/C25H27N3O4/c1-3-31-22-14-17-12-16(2)32-23(17)15-18(22)13-19(25(29)28-8-10-30-11-9-28)24-26-20-6-4-5-7-21(20)27-24/h4-7,13-16H,3,8-12H2,1-2H3,(H,26,27)/b19-13+/t16-/m0/s1