(E)-N-(3-bromophenyl)-3-(6-methoxy-2,3-dimethyl-1-benzofuran-5-yl)but-2-enamide

Systemtic Name: (E)-N-(3-bromophenyl)-3-(6-methoxy-2,3-dimethyl-1-benzofuran-5-yl)but-2-enamide Openeye Name: (E)-N-(3-bromophenyl)-3-(6-methoxy-2,3-dimethyl-benzofuran-5-yl)but-2-enamide CAS Name: (E)-N-(3-bromophenyl)-3-(6-methoxy-2,3-dimethyl-5-benzofuranyl)-2-butenamide IUPAC Name: (E)-N-(3-bromophenyl)-3-(6-methoxy-2,3-dimethyl-1-benzofuran-5-yl)but-2-enamide Traditional Name: (E)-N-(3-bromophenyl)-3-(6-methoxy-2,3-dimethyl-benzofuran-5-yl)but-2-enamide Formula: C21H20BrNO3 MolecularWeight: 414.2924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC(=C(C=C12)C(=CC(=O)NC3=CC(=CC=C3)Br)C)OC)C

Isomeric SMILES

CC1=C(OC2=CC(=C(C=C12)/C(=C/C(=O)NC3=CC(=CC=C3)Br)/C)OC)C

InChI

InChI=1S/C21H20BrNO3/c1-12(8-21(24)23-16-7-5-6-15(22)9-16)17-10-18-13(2)14(3)26-20(18)11-19(17)25-4/h5-11H,1-4H3,(H,23,24)/b12-8+