(E)-3-(6-ethoxy-2,3-dimethyl-1-benzofuran-5-yl)-N-(3-imidazol-1-ylpropyl)but-2-enamide

Systemtic Name: (E)-3-(6-ethoxy-2,3-dimethyl-1-benzofuran-5-yl)-N-(3-imidazol-1-ylpropyl)but-2-enamide Openeye Name: (E)-3-(6-ethoxy-2,3-dimethyl-benzofuran-5-yl)-N-(3-imidazol-1-ylpropyl)but-2-enamide CAS Name: (E)-3-(6-ethoxy-2,3-dimethyl-5-benzofuranyl)-N-[3-(1-imidazolyl)propyl]-2-butenamide IUPAC Name: (E)-3-(6-ethoxy-2,3-dimethyl-1-benzofuran-5-yl)-N-(3-imidazol-1-ylpropyl)but-2-enamide Traditional Name: (E)-3-(6-ethoxy-2,3-dimethyl-benzofuran-5-yl)-N-(3-imidazol-1-ylpropyl)but-2-enamide Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C(OC2=C1)C)C)C(=CC(=O)NCCCN3C=CN=C3)C

Isomeric SMILES

CCOC1=C(C=C2C(=C(OC2=C1)C)C)/C(=C/C(=O)NCCCN3C=CN=C3)/C

InChI

InChI=1S/C22H27N3O3/c1-5-27-20-13-21-19(16(3)17(4)28-21)12-18(20)15(2)11-22(26)24-7-6-9-25-10-8-23-14-25/h8,10-14H,5-7,9H2,1-4H3,(H,24,26)/b15-11+