(E)-3-[3-(4-chlorophenyl)-6-methoxy-7-methyl-1-benzofuran-5-yl]-N-(3-imidazol-1-ylpropyl)but-2-enamide

Systemtic Name: (E)-3-[3-(4-chlorophenyl)-6-methoxy-7-methyl-1-benzofuran-5-yl]-N-(3-imidazol-1-ylpropyl)but-2-enamide Openeye Name: (E)-3-[3-(4-chlorophenyl)-6-methoxy-7-methyl-benzofuran-5-yl]-N-(3-imidazol-1-ylpropyl)but-2-enamide CAS Name: (E)-3-[3-(4-chlorophenyl)-6-methoxy-7-methyl-5-benzofuranyl]-N-[3-(1-imidazolyl)propyl]-2-butenamide IUPAC Name: (E)-3-[3-(4-chlorophenyl)-6-methoxy-7-methyl-1-benzofuran-5-yl]-N-(3-imidazol-1-ylpropyl)but-2-enamide Traditional Name: (E)-3-[3-(4-chlorophenyl)-6-methoxy-7-methyl-benzofuran-5-yl]-N-(3-imidazol-1-ylpropyl)but-2-enamide Formula: C26H26ClN3O3 MolecularWeight: 463.95594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1OC)C(=CC(=O)NCCCN3C=CN=C3)C)C(=CO2)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C2C(=CC(=C1OC)/C(=C/C(=O)NCCCN3C=CN=C3)/C)C(=CO2)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H26ClN3O3/c1-17(13-24(31)29-9-4-11-30-12-10-28-16-30)21-14-22-23(19-5-7-20(27)8-6-19)15-33-26(22)18(2)25(21)32-3/h5-8,10,12-16H,4,9,11H2,1-3H3,(H,29,31)/b17-13+