4-[2-bromanyl-4-(2,3-dimethylbenzo[f][1]benzofuran-4-yl)-6-ethyl-phenoxy]butanamide

Systemtic Name: 4-[2-bromanyl-4-(2,3-dimethylbenzo[f][1]benzofuran-4-yl)-6-ethyl-phenoxy]butanamide Openeye Name: 4-[2-bromo-4-(2,3-dimethylbenzo[f]benzofuran-4-yl)-6-ethyl-phenoxy]butanamide CAS Name: 4-[2-bromo-4-(2,3-dimethyl-4-benzo[f]benzofuranyl)-6-ethylphenoxy]butanamide IUPAC Name: 4-[2-bromo-4-(2,3-dimethylbenzo[f][1]benzofuran-4-yl)-6-ethylphenoxy]butanamide Traditional Name: 4-[2-bromo-4-(2,3-dimethylbenzo[f]benzofuran-4-yl)-6-ethyl-phenoxy]butyramide Formula: C26H26BrNO3 MolecularWeight: 480.39354

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1)C2=C3C(=C(OC3=CC4=CC=CC=C42)C)C)Br)OCCCC(=O)N

Isomeric SMILES

CCC1=C(C(=CC(=C1)C2=C3C(=C(OC3=CC4=CC=CC=C42)C)C)Br)OCCCC(=O)N

InChI

InChI=1S/C26H26BrNO3/c1-4-17-12-19(13-21(27)26(17)30-11-7-10-23(28)29)25-20-9-6-5-8-18(20)14-22-24(25)15(2)16(3)31-22/h5-6,8-9,12-14H,4,7,10-11H2,1-3H3,(H2,28,29)