5-bromanyl-N-[4-methyl-3-(propanoylamino)phenyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[4-methyl-3-(propanoylamino)phenyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[4-methyl-3-(propanoylamino)phenyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[4-methyl-3-(1-oxopropylamino)phenyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[4-methyl-3-(propanoylamino)phenyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-(4-methyl-3-propionamido-phenyl)-2-phenethyloxy-benzamide Formula: C25H25BrN2O3 MolecularWeight: 481.3816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=CC(=C1)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3)C

Isomeric SMILES

CCC(=O)NC1=C(C=CC(=C1)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3)C

InChI

InChI=1S/C25H25BrN2O3/c1-3-24(29)28-22-16-20(11-9-17(22)2)27-25(30)21-15-19(26)10-12-23(21)31-14-13-18-7-5-4-6-8-18/h4-12,15-16H,3,13-14H2,1-2H3,(H,27,30)(H,28,29)