butyl 4-[2-(5-bromanyl-1-benzofuran-3-yl)ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(5-bromanyl-1-benzofuran-3-yl)ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(5-bromobenzofuran-3-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(5-bromo-3-benzofuranyl)-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(5-bromo-1-benzofuran-3-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(5-bromobenzofuran-3-yl)acetyl]amino]benzoic acid butyl ester Formula: C21H20BrNO4 MolecularWeight: 430.2918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=COC3=C2C=C(C=C3)Br

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=COC3=C2C=C(C=C3)Br

InChI

InChI=1S/C21H20BrNO4/c1-2-3-10-26-21(25)14-4-7-17(8-5-14)23-20(24)11-15-13-27-19-9-6-16(22)12-18(15)19/h4-9,12-13H,2-3,10-11H2,1H3,(H,23,24)